Proteins power a vast array of functional processes in living cells. The capability to create new proteins with designed structures and functions would thus enable the engineering of cellular behavior and development of protein-based therapeutics and materials. Structure-based protein design aims to find structures that are designable (can be realized by a protein sequence), novel (have dissimilar geometry from natural proteins), and diverse (span a wide range of geometries). While advances in protein structure prediction have made it possible to predict structures of novel protein sequences, the combinatorially large space of sequences and structures limits the practicality of search-based methods. Generative models provide a compelling alternative, by implicitly learning the low-dimensional structure of complex data distributions. Here, we leverage recent advances in denoising diffusion probabilistic models and equivariant neural networks to develop Genie, a generative model of protein structures that performs discrete-time diffusion using a cloud of oriented reference frames in 3D space. Through in silico evaluations, we demonstrate that Genie generates protein backbones that are more designable, novel, and diverse than existing models. This indicates that Genie is capturing key aspects of the distribution of protein structure space and facilitates protein design with high success rates. Code for generating new proteins and training new versions of Genie is available at https://github.com/aqlaboratory/genie.  ( 2 min )

Deep Graph Networks (DGNs) currently dominate the research landscape of learning from graphs, due to their efficiency and ability to implement an adaptive message-passing scheme between the nodes. However, DGNs are typically limited in their ability to propagate and preserve long-term dependencies between nodes, i.e., they suffer from the over-squashing phenomena. This reduces their effectiveness, since predictive problems may require to capture interactions at different, and possibly large, radii in order to be effectively solved. In this work, we present Anti-Symmetric Deep Graph Networks (A-DGNs), a framework for stable and non-dissipative DGN design, conceived through the lens of ordinary differential equations. We give theoretical proof that our method is stable and non-dissipative, leading to two key results: long-range information between nodes is preserved, and no gradient vanishing or explosion occurs in training. We empirically validate the proposed approach on several graph benchmarks, showing that A-DGN yields to improved performance and enables to learn effectively even when dozens of layers are used.  ( 2 min )

Knowledge Extraction (KE), aiming to extract structural information from unstructured texts, often suffers from data scarcity and emerging unseen types, i.e., low-resource scenarios. Many neural approaches to low-resource KE have been widely investigated and achieved impressive performance. In this paper, we present a literature review towards KE in low-resource scenarios, and systematically categorize existing works into three paradigms: (1) exploiting higher-resource data, (2) exploiting stronger models, and (3) exploiting data and models together. In addition, we highlight promising applications and outline some potential directions for future research. We hope that our survey can help both the academic and industrial communities to better understand this field, inspire more ideas, and boost broader applications.  ( 2 min )

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.  ( 2 min )

Reasoning on large-scale knowledge graphs has been long dominated by embedding methods. While path-based methods possess the inductive capacity that embeddings lack, they suffer from the scalability issue due to the exponential number of paths. Here we present A*Net, a scalable path-based method for knowledge graph reasoning. Inspired by the A* algorithm for shortest path problems, our A*Net learns a priority function to select important nodes and edges at each iteration, to reduce time and memory footprint for both training and inference. The ratio of selected nodes and edges can be specified to trade off between performance and efficiency. Experiments on both transductive and inductive knowledge graph reasoning benchmarks show that A*Net achieves competitive performance with existing state-of-the-art path-based methods, while merely visiting 10% nodes and 10% edges at each iteration. On a million-scale dataset ogbl-wikikg2, A*Net achieves competitive performance with embedding methods and converges faster. To our best knowledge, A*Net is the first path-based method for knowledge graph reasoning at such a scale.  ( 2 min )

Deep Learning (DL) has achieved automatic and objective assessment of surgical skills. However, DL models are data-hungry and restricted to their training domain. This prevents them from transitioning to new tasks where data is limited. Hence, domain adaptation is crucial to implement DL in real life. Here, we propose a meta-learning model, A-VBANet, that can deliver domain-agnostic surgical skill classification via one-shot learning. We develop the A-VBANet on five laparoscopic and robotic surgical simulators. Additionally, we test it on operating room (OR) videos of laparoscopic cholecystectomy. Our model successfully adapts with accuracies up to 99.5% in one-shot and 99.9% in few-shot settings for simulated tasks and 89.7% for laparoscopic cholecystectomy. For the first time, we provide a domain-agnostic procedure for video-based assessment of surgical skills. A significant implication of this approach is that it allows the use of data from surgical simulators to assess performance in the operating room.  ( 2 min )

This work explores an efficient approach to establish a foundational video-text model for tasks including open-vocabulary video classification, text-to-video retrieval, video captioning and video question-answering. We present VideoCoCa that reuses a pretrained image-text contrastive captioner (CoCa) model and adapt it to video-text tasks with minimal extra training. While previous works adapt image-text models with various cross-frame fusion modules (for example, cross-frame attention layer or perceiver resampler) and finetune the modified architecture on video-text data, we surprisingly find that the generative attentional pooling and contrastive attentional pooling layers in the image-text CoCa design are instantly adaptable to "flattened frame embeddings", yielding a strong zero-shot transfer baseline for many video-text tasks. Specifically, the frozen image encoder of a pretrained image-text CoCa takes each video frame as inputs and generates $N$ token embeddings per frame for totally $T$ video frames. We flatten $(N \times T)$ token embeddings as a long sequence of frozen video representation and apply CoCa's generative attentional pooling and contrastive attentional pooling on top. All model weights including pooling layers are directly loaded from an image-text CoCa pretrained model. Without any video or video-text data, VideoCoCa's zero-shot transfer baseline already achieves state-of-the-art results on zero-shot video classification on Kinetics 400/600/700, UCF101, HMDB51, and Charades, as well as zero-shot text-to-video retrieval on MSR-VTT, ActivityNet Captions and VATEX. We also explore lightweight finetuning on top of VideoCoCa, and achieve strong results on video question-answering (iVQA, MSRVTT-QA, MSVD-QA, ActivityNet-QA) and video captioning (MSR-VTT, ActivityNet, VATEX, Youcook2). Our approach establishes a simple video-text baseline for future research.  ( 2 min )

Deep generative models have gained popularity in recent years due to their ability to accurately replicate inherent empirical distributions and yield novel samples. In particular, certain advances are proposed wherein the model engenders data examples following specified attributes. Nevertheless, several challenges still exist and are to be overcome, i.e., difficulty in extrapolating out-of-sample data and insufficient learning of disentangled representations. Structural causal models (SCMs), on the other hand, encapsulate the causal factors that govern a generative process and characterize a generative model based on causal relationships, providing crucial insights for addressing the current obstacles in deep generative models. In this paper, we present a comprehensive survey of Causal deep Generative Models (CGMs), which combine SCMs and deep generative models in a way that boosts several trustworthy properties such as robustness, fairness, and interpretability. We provide an overview of the recent advances in CGMs, categorize them based on generative types, and discuss how causality is introduced into the family of deep generative models. We also explore potential avenues for future research in this field.  ( 2 min )

In machine learning, the selection of a promising model from a potentially large number of competing models and the assessment of its generalization performance are critical tasks that need careful consideration. Typically, model selection and evaluation are strictly separated endeavors, splitting the sample at hand into a training, validation, and evaluation set, and only compute a single confidence interval for the prediction performance of the final selected model. We however propose an algorithm how to compute valid lower confidence bounds for multiple models that have been selected based on their prediction performances in the evaluation set by interpreting the selection problem as a simultaneous inference problem. We use bootstrap tilting and a maxT-type multiplicity correction. The approach is universally applicable for any combination of prediction models, any model selection strategy, and any prediction performance measure that accepts weights. We conducted various simulation experiments which show that our proposed approach yields lower confidence bounds that are at least comparably good as bounds from standard approaches, and that reliably reach the nominal coverage probability. In addition, especially when sample size is small, our proposed approach yields better performing prediction models than the default selection of only one model for evaluation does.  ( 3 min )

In offline reinforcement learning (RL), one detrimental issue to policy learning is the error accumulation of deep Q function in out-of-distribution (OOD) areas. Unfortunately, existing offline RL methods are often over-conservative, inevitably hurting generalization performance outside data distribution. In our study, one interesting observation is that deep Q functions approximate well inside the convex hull of training data. Inspired by this, we propose a new method, DOGE (Distance-sensitive Offline RL with better GEneralization). DOGE marries dataset geometry with deep function approximators in offline RL, and enables exploitation in generalizable OOD areas rather than strictly constraining policy within data distribution. Specifically, DOGE trains a state-conditioned distance function that can be readily plugged into standard actor-critic methods as a policy constraint. Simple yet elegant, our algorithm enjoys better generalization compared to state-of-the-art methods on D4RL benchmarks. Theoretical analysis demonstrates the superiority of our approach to existing methods that are solely based on data distribution or support constraints.  ( 2 min )

As the scales of neural networks increase, techniques that enable them to run with low computational cost and energy efficiency are required. From such demands, various efficient neural network paradigms, such as spiking neural networks (SNNs) or binary neural networks (BNNs), have been proposed. However, they have sticky drawbacks, such as degraded inference accuracy and latency. To solve these problems, we propose a single-step spiking neural network (S$^3$NN), an energy-efficient neural network with low computational cost and high precision. The proposed S$^3$NN processes the information between hidden layers by spikes as SNNs. Nevertheless, it has no temporal dimension so that there is no latency within training and inference phases as BNNs. Thus, the proposed S$^3$NN has a lower computational cost than SNNs that require time-series processing. However, S$^3$NN cannot adopt na\"{i}ve backpropagation algorithms due to the non-differentiability nature of spikes. We deduce a suitable neuron model by reducing the surrogate gradient for multi-time step SNNs to a single-time step. We experimentally demonstrated that the obtained surrogate gradient allows S$^3$NN to be trained appropriately. We also showed that the proposed S$^3$NN could achieve comparable accuracy to full-precision networks while being highly energy-efficient.  ( 2 min )

This paper proposes a novel framework for certifying the fairness of predictive models trained on biased data. It draws from query answering for incomplete and inconsistent databases to formulate the problem of consistent range approximation (CRA) of fairness queries for a predictive model on a target population. The framework employs background knowledge of the data collection process and biased data, working with or without limited statistics about the target population, to compute a range of answers for fairness queries. Using CRA, the framework builds predictive models that are certifiably fair on the target population, regardless of the availability of external data during training. The framework's efficacy is demonstrated through evaluations on real data, showing substantial improvement over existing state-of-the-art methods.  ( 2 min )

We introduce Nocturne, a new 2D driving simulator for investigating multi-agent coordination under partial observability. The focus of Nocturne is to enable research into inference and theory of mind in real-world multi-agent settings without the computational overhead of computer vision and feature extraction from images. Agents in this simulator only observe an obstructed view of the scene, mimicking human visual sensing constraints. Unlike existing benchmarks that are bottlenecked by rendering human-like observations directly using a camera input, Nocturne uses efficient intersection methods to compute a vectorized set of visible features in a C++ back-end, allowing the simulator to run at over 2000 steps-per-second. Using open-source trajectory and map data, we construct a simulator to load and replay arbitrary trajectories and scenes from real-world driving data. Using this environment, we benchmark reinforcement-learning and imitation-learning agents and demonstrate that the agents are quite far from human-level coordination ability and deviate significantly from the expert trajectories.

Machine learning models have been employed to perform either physics-free data-driven or hybrid dynamical downscaling of climate data. Most of these implementations operate over relatively small downscaling factors because of the challenge of recovering fine-scale information from coarse data. This limits their compatibility with many global climate model outputs, often available between $\sim$50--100 km resolution, to scales of interest such as cloud resolving or urban scales. This study systematically examines the capability of convolutional neural networks (CNNs) to downscale surface wind speed data over land surface from different coarse resolutions (25 km, 48 km, and 100 km resolution) to 3 km. For each downscaling factor, we consider three CNN configurations that generate super-resolved predictions of fine-scale wind speed, which take between 1 to 3 input fields: coarse wind speed, fine-scale topography, and diurnal cycle. In addition to fine-scale wind speeds, probability density function parameters are generated, through which sample wind speeds can be generated accounting for the intrinsic stochasticity of wind speed. For generalizability assessment, CNN models are tested on regions with different topography and climate that are unseen during training. The evaluation of super-resolved predictions focuses on subgrid-scale variability and the recovery of extremes. Models with coarse wind and fine topography as inputs exhibit the best performance compared with other model configurations, operating across the same downscaling factor. Our diurnal cycle encoding results in lower out-of-sample generalizability compared with other input configurations.  ( 2 min )

Counterfactual invariance has proven an essential property for predictors that are fair, robust, and generalizable in the real world. We propose a general definition of counterfactual invariance and provide simple graphical criteria that yield a sufficient condition for a predictor to be counterfactually invariant in terms of (conditional independence in) the observational distribution. Any predictor that satisfies our criterion is provably counterfactually invariant. In order to learn such predictors, we propose a model-agnostic framework, called Counterfactual Invariance Prediction (CIP), based on a kernel-based conditional dependence measure called Hilbert-Schmidt Conditional Independence Criterion (HSCIC). Our experimental results demonstrate the effectiveness of CIP in enforcing counterfactual invariance across various types of data including tabular, high-dimensional, and real-world dataset.  ( 2 min )

Deep learning has achieved remarkable success in learning representations for molecules, which is crucial for various biochemical applications, ranging from property prediction to drug design. However, training Deep Neural Networks (DNNs) from scratch often requires abundant labeled molecules, which are expensive to acquire in the real world. To alleviate this issue, tremendous efforts have been devoted to Molecular Pre-trained Models (MPMs), where DNNs are pre-trained using large-scale unlabeled molecular databases and then fine-tuned over specific downstream tasks. Despite the prosperity, there lacks a systematic review of this fast-growing field. In this paper, we present the first survey that summarizes the current progress of MPMs. We first highlight the limitations of training molecular representation models from scratch to motivate MPM studies. Next, we systematically review recent advances on this topic from several key perspectives, including molecular descriptors, encoder architectures, pre-training strategies, and applications. We also highlight the challenges and promising avenues for future research, providing a useful resource for both machine learning and scientific communities.  ( 2 min )

Generating complex behaviors that satisfy the preferences of non-expert users is a crucial requirement on AI agents. Interactive reward learning from trajectory comparisons is one way to allow non-expert users to convey complex objectives by expressing preferences over short clips of agent behaviors. Even though this parametric method can encode complex tacit knowledge present in the underlying tasks, it implicitly assumes that the human is unable to provide richer feedback than binary preference labels, leading to intolerably high feedback complexity and poor user experience. While providing a detailed symbolic closed-form specification of the objectives might be tempting, it is not always feasible even for an expert user. However, in most cases, humans are aware of how the agent should change its behavior along meaningful axes to fulfill their underlying purpose, even if they are not able to fully specify task objectives symbolically. Using this as motivation, we introduce the notion of Relative Behavioral Attributes, which allows the users to tweak the agent behavior through symbolic concepts (e.g., increasing the softness or speed of agents' movement). We propose two practical methods that can learn to model any kind of behavioral attributes from ordered behavior clips. We demonstrate the effectiveness of our methods on four tasks with nine different behavioral attributes, showing that once the attributes are learned, end users can produce desirable agent behaviors relatively effortlessly, by providing feedback just around ten times. This is over an order of magnitude less than that required by the popular learning-from-human-preferences baselines. The supplementary video and source code are available at: https://guansuns.github.io/pages/rba.

Spurious correlations, or correlations that change across domains where a model can be deployed, present significant challenges to real-world applications of machine learning models. However, such correlations are not always "spurious"; often, they provide valuable prior information for a prediction. Here, we present a test-time adaptation method that exploits the spurious correlation phenomenon, in contrast to recent approaches that attempt to eliminate spurious correlations through invariance. We consider situations where the prior distribution $p(y, z)$, which models the dependence between the class label $y$ and the "nuisance" factors $z$, may change across domains, but the generative model for features $p(\mathbf{x}|y, z)$ is constant. We note that this corresponds to an expanded version of the label shift assumption, where the labels now also include the nuisance factors $z$. Based on this observation, we train a classifier to predict $p(y, z|\mathbf{x})$ on the source distribution, and propose a test-time label shift correction that adapts to changes in the marginal distribution $p(y, z)$ using unlabeled samples from the target domain. We evaluate our method, which we call "Test-Time Label-Shift Adaptation" (TTLSA), on two different image datasets -- the CheXpert chest X-ray dataset and the Colored MNIST dataset -- and show a significant improvement over baseline methods. Code reproducing experiments is available at https://github.com/nalzok/test-time-label-shift .

Determining the state of a mobile robot is an essential building block of robot navigation systems. In this paper, we address the problem of estimating the robots pose in an indoor environment using 2D LiDAR data and investigate how modern environment models can improve gold standard Monte-Carlo localization (MCL) systems. We propose a neural occupancy field to implicitly represent the scene using a neural network. With the pretrained network, we can synthesize 2D LiDAR scans for an arbitrary robot pose through volume rendering. Based on the implicit representation, we can obtain the similarity between a synthesized and actual scan as an observation model and integrate it into an MCL system to perform accurate localization. We evaluate our approach on self-recorded datasets and three publicly available ones. We show that we can accurately and efficiently localize a robot using our approach surpassing the localization performance of state-of-the-art methods. The experiments suggest that the presented implicit representation is able to predict more accurate 2D LiDAR scans leading to an improved observation model for our particle filter-based localization. The code of our approach will be available at: https://github.com/PRBonn/ir-mcl.

A treatment policy defines when and what treatments are applied to affect some outcome of interest. Data-driven decision-making requires the ability to predict what happens if a policy is changed. Existing methods that predict how the outcome evolves under different scenarios assume that the tentative sequences of future treatments are fixed in advance, while in practice the treatments are determined stochastically by a policy and may depend for example on the efficiency of previous treatments. Therefore, the current methods are not applicable if the treatment policy is unknown or a counterfactual analysis is needed. To handle these limitations, we model the treatments and outcomes jointly in continuous time, by combining Gaussian processes and point processes. Our model enables the estimation of a treatment policy from observational sequences of treatments and outcomes, and it can predict the interventional and counterfactual progression of the outcome after an intervention on the treatment policy (in contrast with the causal effect of a single treatment). We show with real-world and semi-synthetic data on blood glucose progression that our method can answer causal queries more accurately than existing alternatives.

This paper examines social web content moderation from two key perspectives: automated methods (machine moderators) and human evaluators (human moderators). We conduct a noise audit at an unprecedented scale using nine machine moderators trained on well-known offensive speech data sets evaluated on a corpus sampled from 92 million YouTube comments discussing a multitude of issues relevant to US politics. We introduce a first-of-its-kind data set of vicarious offense. We ask annotators: (1) if they find a given social media post offensive; and (2) how offensive annotators sharing different political beliefs would find the same content. Our experiments with machine moderators reveal that moderation outcomes wildly vary across different machine moderators. Our experiments with human moderators suggest that (1) political leanings considerably affect first-person offense perspective; (2) Republicans are the worst predictors of vicarious offense; (3) predicting vicarious offense for the Republicans is most challenging than predicting vicarious offense for the Independents and the Democrats; and (4) disagreement across political identity groups considerably increases when sensitive issues such as reproductive rights or gun control/rights are discussed. Both experiments suggest that offense, is indeed, highly subjective and raise important questions concerning content moderation practices.  ( 2 min )

Machine learning-based modeling of physical systems has experienced increased interest in recent years. Despite some impressive progress, there is still a lack of benchmarks for Scientific ML that are easy to use but still challenging and representative of a wide range of problems. We introduce PDEBench, a benchmark suite of time-dependent simulation tasks based on Partial Differential Equations (PDEs). PDEBench comprises both code and data to benchmark the performance of novel machine learning models against both classical numerical simulations and machine learning baselines. Our proposed set of benchmark problems contribute the following unique features: (1) A much wider range of PDEs compared to existing benchmarks, ranging from relatively common examples to more realistic and difficult problems; (2) much larger ready-to-use datasets compared to prior work, comprising multiple simulation runs across a larger number of initial and boundary conditions and PDE parameters; (3) more extensible source codes with user-friendly APIs for data generation and baseline results with popular machine learning models (FNO, U-Net, PINN, Gradient-Based Inverse Method). PDEBench allows researchers to extend the benchmark freely for their own purposes using a standardized API and to compare the performance of new models to existing baseline methods. We also propose new evaluation metrics with the aim to provide a more holistic understanding of learning methods in the context of Scientific ML. With those metrics we identify tasks which are challenging for recent ML methods and propose these tasks as future challenges for the community. The code is available at https://github.com/pdebench/PDEBench.

We introduce SketchySGD, a stochastic quasi-Newton method that uses sketching to approximate the curvature of the loss function. SketchySGD improves upon existing stochastic gradient methods in machine learning by using randomized low-rank approximations to the subsampled Hessian and by introducing an automated stepsize that works well across a wide range of convex machine learning problems. We show theoretically that SketchySGD with a fixed stepsize converges linearly to a small ball around the optimum. Further, in the ill-conditioned setting we show SketchySGD converges at a faster rate than SGD for least-squares problems. We validate this improvement empirically with ridge regression experiments on real data. Numerical experiments on both ridge and logistic regression problems show that SketchySGD can achieve comparable or better results to popular stochastic gradient methods with minimal hyperparameter tuning. The robustness of SketchySGD to hyperparameters is an advantage over other stochastic gradient methods, most of which require careful hyperparameter tuning (especially of the learning rate) to obtain good performance.

We aim to automate decades of research and experience in register allocation, leveraging machine learning. We tackle this problem by embedding a multi-agent reinforcement learning algorithm within LLVM, training it with the state of the art techniques. We formalize the constraints that precisely define the problem for a given instruction-set architecture, while ensuring that the generated code preserves semantic correctness. We also develop a gRPC based framework providing a modular and efficient compiler interface for training and inference. Our approach is architecture independent: we show experimental results targeting Intel x86 and ARM AArch64. Our results match or out-perform the heavily tuned, production-grade register allocators of LLVM.  ( 2 min )

We propose MINT, a new Multilingual INTimacy analysis dataset covering 13,372 tweets in 10 languages including English, French, Spanish, Italian, Portuguese, Korean, Dutch, Chinese, Hindi, and Arabic. We benchmarked a list of popular multilingual pre-trained language models. The dataset is released along with the SemEval 2023 Task 9: Multilingual Tweet Intimacy Analysis (https://sites.google.com/umich.edu/semeval-2023-tweet-intimacy).

We propose an intuitive, machine-learning approach to multiparameter inference, dubbed the InferoStatic Networks (ISN) method, to model the score and likelihood ratio estimators in cases when the probability density can be sampled but not computed directly. The ISN uses a backend neural network that models a scalar function called the inferostatic potential $\varphi$. In addition, we introduce new strategies, respectively called Kernel Score Estimation (KSE) and Kernel Likelihood Ratio Estimation (KLRE), to learn the score and the likelihood ratio functions from simulated data. We illustrate the new techniques with some toy examples and compare to existing approaches in the literature. We mention en passant some new loss functions that optimally incorporate latent information from simulations into the training procedure.

Antibody design is valuable for therapeutic usage and biological research. Existing deep-learning-based methods encounter several key issues: 1) incomplete context for Complementarity-Determining Regions (CDRs) generation; 2) incapability of capturing the entire 3D geometry of the input structure; 3) inefficient prediction of the CDR sequences in an autoregressive manner. In this paper, we propose Multi-channel Equivariant Attention Network (MEAN) to co-design 1D sequences and 3D structures of CDRs. To be specific, MEAN formulates antibody design as a conditional graph translation problem by importing extra components including the target antigen and the light chain of the antibody. Then, MEAN resorts to E(3)-equivariant message passing along with a proposed attention mechanism to better capture the geometrical correlation between different components. Finally, it outputs both the 1D sequences and 3D structure via a multi-round progressive full-shot scheme, which enjoys more efficiency and precision against previous autoregressive approaches. Our method significantly surpasses state-of-the-art models in sequence and structure modeling, antigen-binding CDR design, and binding affinity optimization. Specifically, the relative improvement to baselines is about 23% in antigen-binding CDR design and 34% for affinity optimization.

Testing black-box perceptual-control systems in simulation faces two difficulties. Firstly, perceptual inputs in simulation lack the fidelity of real-world sensor inputs. Secondly, for a reasonably accurate perception system, encountering a rare failure trajectory may require running infeasibly many simulations. This paper combines perception error models -- surrogates for a sensor-based detection system -- with state-dependent adaptive importance sampling. This allows us to efficiently assess the rare failure probabilities for real-world perceptual control systems within simulation. Our experiments with an autonomous braking system equipped with an RGB obstacle-detector show that our method can calculate accurate failure probabilities with an inexpensive number of simulations. Further, we show how choice of safety metric can influence the process of learning proposal distributions capable of reliably sampling high-probability failures.

This paper proposes a physically consistent Gaussian Process (GP) enabling the identification of uncertain Lagrangian systems. The function space is tailored according to the energy components of the Lagrangian and the differential equation structure, analytically guaranteeing physical and mathematical properties such as energy conservation and quadratic form. The novel formulation of Cholesky decomposed matrix kernels allow the probabilistic preservation of positive definiteness. Only differential input-to-output measurements of the function map are required while Gaussian noise is permitted in torques, velocities, and accelerations. We demonstrate the effectiveness of the approach in numerical simulation.

We consider the problem of episodic reinforcement learning where there are multiple stakeholders with different reward functions. Our goal is to output a policy that is socially fair with respect to different reward functions. Prior works have proposed different objectives that a fair policy must optimize including minimum welfare, and generalized Gini welfare. We first take an axiomatic view of the problem, and propose four axioms that any such fair objective must satisfy. We show that the Nash social welfare is the unique objective that uniquely satisfies all four objectives, whereas prior objectives fail to satisfy all four axioms. We then consider the learning version of the problem where the underlying model i.e. Markov decision process is unknown. We consider the problem of minimizing regret with respect to the fair policies maximizing three different fair objectives -- minimum welfare, generalized Gini welfare, and Nash social welfare. Based on optimistic planning, we propose a generic learning algorithm and derive its regret bound with respect to the three different policies. For the objective of Nash social welfare, we also derive a lower bound in regret that grows exponentially with $n$, the number of agents. Finally, we show that for the objective of minimum welfare, one can improve regret by a factor of $O(H)$ for a weaker notion of regret.

We consider the estimation of average treatment effects in observational studies and propose a new framework of robust causal inference with unobserved confounders. Our approach is based on distributionally robust optimization and proceeds in two steps. We first specify the maximal degree to which the distribution of unobserved potential outcomes may deviate from that of observed outcomes. We then derive sharp bounds on the average treatment effects under this assumption. Our framework encompasses the popular marginal sensitivity model as a special case, and we demonstrate how the proposed methodology can address a primary challenge of the marginal sensitivity model that it produces uninformative results when unobserved confounders substantially affect treatment and outcome. Specifically, we develop an alternative sensitivity model, called the distributional sensitivity model, under the assumption that heterogeneity of treatment effect due to unobserved variables is relatively small. Unlike the marginal sensitivity model, the distributional sensitivity model allows for potential lack of overlap and often produces informative bounds even when unobserved variables substantially affect both treatment and outcome. Finally, we show how to extend the distributional sensitivity model to difference-in-differences designs and settings with instrumental variables. Through simulation and empirical studies, we demonstrate the applicability of the proposed methodology.

Neural networks have demonstrated state-of-the-art performance in various machine learning fields. However, the introduction of malicious perturbations in input data, known as adversarial examples, has been shown to deceive neural network predictions. This poses potential risks for real-world applications such as autonomous driving and text identification. In order to mitigate these risks, a comprehensive understanding of the mechanisms underlying adversarial examples is essential. In this study, we demonstrate that adversarial perturbations contain human-recognizable information, which is the key conspirator responsible for a neural network's incorrect prediction, in contrast to the widely held belief that human-unidentifiable characteristics play a critical role in fooling a network. This concept of human-recognizable characteristics enables us to explain key features of adversarial perturbations, including their existence, transferability among different neural networks, and increased interpretability for adversarial training. We also uncover two unique properties of adversarial perturbations that deceive neural networks: masking and generation. Additionally, a special class, the complementary class, is identified when neural networks classify input images. The presence of human-recognizable information in adversarial perturbations allows researchers to gain insight into the working principles of neural networks and may lead to the development of techniques for detecting and defending against adversarial attacks.

We address the task of open-world class-agnostic object detection, i.e., detecting every object in an image by learning from a limited number of base object classes. State-of-the-art RGB-based models suffer from overfitting the training classes and often fail at detecting novel-looking objects. This is because RGB-based models primarily rely on appearance similarity to detect novel objects and are also prone to overfitting short-cut cues such as textures and discriminative parts. To address these shortcomings of RGB-based object detectors, we propose incorporating geometric cues such as depth and normals, predicted by general-purpose monocular estimators. Specifically, we use the geometric cues to train an object proposal network for pseudo-labeling unannotated novel objects in the training set. Our resulting Geometry-guided Open-world Object Detector (GOOD) significantly improves detection recall for novel object categories and already performs well with only a few training classes. Using a single "person" class for training on the COCO dataset, GOOD surpasses SOTA methods by 5.0% AR@100, a relative improvement of 24%.  ( 2 min )

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions and more general loss functions, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g. noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.  ( 2 min )

The practicality of reinforcement learning algorithms has been limited due to poor scaling with respect to the problem size, as the sample complexity of learning an $\epsilon$-optimal policy is $\tilde{\Omega}\left(|S||A|H^3 / \epsilon^2\right)$ over worst case instances of an MDP with state space $S$, action space $A$, and horizon $H$. We consider a class of MDPs for which the associated optimal $Q^*$ function is low rank, where the latent features are unknown. While one would hope to achieve linear sample complexity in $|S|$ and $|A|$ due to the low rank structure, we show that without imposing further assumptions beyond low rank of $Q^*$, if one is constrained to estimate the $Q$ function using only observations from a subset of entries, there is a worst case instance in which one must incur a sample complexity exponential in the horizon $H$ to learn a near optimal policy. We subsequently show that under stronger low rank structural assumptions, given access to a generative model, Low Rank Monte Carlo Policy Iteration (LR-MCPI) and Low Rank Empirical Value Iteration (LR-EVI) achieve the desired sample complexity of $\tilde{O}\left((|S|+|A|)\mathrm{poly}(d,H)/\epsilon^2\right)$ for a rank $d$ setting, which is minimax optimal with respect to the scaling of $|S|, |A|$, and $\epsilon$. In contrast to literature on linear and low-rank MDPs, we do not require a known feature mapping, our algorithm is computationally simple, and our results hold for long time horizons. Our results provide insights on the minimal low-rank structural assumptions required on the MDP with respect to the transition kernel versus the optimal action-value function.

Modern deep learning systems are increasingly deployed in situations such as personalization and federated learning where it is necessary to support i) learning on small amounts of data, and ii) communication efficient distributed training protocols. In this work, we develop FiLM Transfer (FiT) which fulfills these requirements in the image classification setting by combining ideas from transfer learning (fixed pretrained backbones and fine-tuned FiLM adapter layers) and meta-learning (automatically configured Naive Bayes classifiers and episodic training) to yield parameter efficient models with superior classification accuracy at low-shot. The resulting parameter efficiency is key for enabling few-shot learning, inexpensive model updates for personalization, and communication efficient federated learning. We experiment with FiT on a wide range of downstream datasets and show that it achieves better classification accuracy than the leading Big Transfer (BiT) algorithm at low-shot and achieves state-of-the art accuracy on the challenging VTAB-1k benchmark, with fewer than 1% of the updateable parameters. Finally, we demonstrate the parameter efficiency and superior accuracy of FiT in distributed low-shot applications including model personalization and federated learning where model update size is an important performance metric.

Recent progress in large-scale language models has enabled breakthroughs in previously intractable computer programming tasks. Prior work in meta-learning and neural architecture search has led to substantial successes across various task domains, spawning myriad approaches for algorithmically optimizing the design and learning dynamics of deep learning models. At the intersection of these research areas, we implement a code-generating language model with the ability to modify its own source code. Self-programming AI algorithms have been of interest since the dawn of AI itself. Although various theoretical formulations of generalized self-programming AI have been posed, no such system has been successfully implemented to date under real-world computational constraints. Applying AI-based code generation to AI itself, we develop and experimentally validate the first practical implementation of a self-programming AI system. We empirically show that a self-programming AI implemented using a code generation model can successfully modify its own source code to improve performance and program sub-models to perform auxiliary tasks. Our model can self-modify various properties including model architecture, computational capacity, and learning dynamics.  ( 2 min )

The increasing complexity and scale of machine learning (ML) has led to the need for more efficient collaboration among multiple teams. For example, when a research team invents a new architecture like "ResNet," it is desirable for multiple engineering teams to adopt it. However, the effort required for each team to study and understand the invention does not scale well with the number of teams or inventions. In this paper, we present an extension of our PyGlove library to easily and scalably share ML ideas. PyGlove represents ideas as symbolic rule-based patches, enabling researchers to write down the rules for models they have not seen. For example, an inventor can write rules that will "add skip-connections." This permits a network effect among teams: at once, any team can issue patches to all other teams. Such a network effect allows users to quickly surmount the cost of adopting PyGlove by writing less code quicker, providing a benefit that scales with time. We describe the new paradigm of organizing ML through symbolic patches and compare it to existing approaches. We also perform a case study of a large codebase where PyGlove led to an 80% reduction in the number of lines of code.  ( 2 min )

We study the fundamental problem of selecting optimal features for model construction. This problem is computationally challenging on large datasets, even with the use of greedy algorithm variants. To address this challenge, we extend the adaptive query model, recently proposed for the greedy forward selection for submodular functions, to the faster paradigm of Orthogonal Matching Pursuit for non-submodular functions. The proposed algorithm achieves exponentially fast parallel run time in the adaptive query model, scaling much better than prior work. Furthermore, our extension allows the use of downward-closed constraints, which can be used to encode certain fairness criteria into the feature selection process. We prove strong approximation guarantees for the algorithm based on standard assumptions. These guarantees are applicable to many parametric models, including Generalized Linear Models. Finally, we demonstrate empirically that the proposed algorithm competes favorably with state-of-the-art techniques for feature selection, on real-world and synthetic datasets.  ( 2 min )

Needle-in-a-Haystack problems exist across a wide range of applications including rare disease prediction, ecological resource management, fraud detection, and material property optimization. A Needle-in-a-Haystack problem arises when there is an extreme imbalance of optimum conditions relative to the size of the dataset. For example, only $0.82\%$ out of $146$k total materials in the open-access Materials Project database have a negative Poisson's ratio. However, current state-of-the-art optimization algorithms are not designed with the capabilities to find solutions to these challenging multidimensional Needle-in-a-Haystack problems, resulting in slow convergence to a global optimum or pigeonholing into a local minimum. In this paper, we present a Zooming Memory-Based Initialization algorithm, entitled ZoMBI. ZoMBI actively extracts knowledge from the previously best-performing evaluated experiments to iteratively zoom in the sampling search bounds towards the global optimum "needle" and then prunes the memory of low-performing historical experiments to accelerate compute times by reducing the algorithm time complexity from $O(n^3)$ to $O(\phi^3)$ for $\phi$ forward experiments per activation, which trends to a constant $O(1)$ over several activations. Additionally, ZoMBI implements two custom adaptive acquisition functions to further guide the sampling of new experiments toward the global optimum. We validate the algorithm's optimization performance on three real-world datasets exhibiting Needle-in-a-Haystack and further stress-test the algorithm's performance on an additional 174 analytical datasets. The ZoMBI algorithm demonstrates compute time speed-ups of 400x compared to traditional Bayesian optimization as well as efficiently discovering optima in under 100 experiments that are up to 3x more highly optimized than those discovered by similar methods MiP-EGO, TuRBO, and HEBO.

Objective: Exploit accelerometry data for an automatic, reliable, and prompt detection of spontaneous circulation during cardiac arrest, as this is both vital for patient survival and practically challenging. Methods: We developed a machine learning algorithm to automatically predict the circulatory state during cardiopulmonary resuscitation from 4-second-long snippets of accelerometry and electrocardiogram (ECG) data from pauses of chest compressions of real-world defibrillator records. The algorithm was trained based on 422 cases from the German Resuscitation Registry, for which ground truth labels were created by a manual annotation of physicians. It uses a kernelized Support Vector Machine classifier based on 49 features, which partially reflect the correlation between accelerometry and electrocardiogram data. Results: Evaluating 50 different test-training data splits, the proposed algorithm exhibits a balanced accuracy of 81.2%, a sensitivity of 80.6%, and a specificity of 81.8%, whereas using only ECG leads to a balanced accuracy of 76.5%, a sensitivity of 80.2%, and a specificity of 72.8%. Conclusion: The first method employing accelerometry for pulse/no-pulse decision yields a significant increase in performance compared to single ECG-signal usage. Significance: This shows that accelerometry provides relevant information for pulse/no-pulse decisions. In application, such an algorithm may be used to simplify retrospective annotation for quality management and, moreover, to support clinicians to assess circulatory state during cardiac arrest treatment.

Feature attribution methods are popular for explaining neural network predictions, and they are often evaluated on metrics such as comprehensiveness and sufficiency. In this paper, we highlight an intriguing property of these metrics: their solvability. Concretely, we can define the problem of optimizing an explanation for a metric, which can be solved by beam search. This observation leads to the obvious yet unaddressed question: why do we use explainers (e.g., LIME) not based on solving the target metric, if the metric value represents explanation quality? We present a series of investigations showing strong performance of this beam search explainer and discuss its broader implication: a definition-evaluation duality of interpretability concepts. We implement the explainer and release the Python solvex package for models of text, image and tabular domains.  ( 2 min )

Operational networks commonly rely on machine learning models for many tasks, including detecting anomalies, inferring application performance, and forecasting demand. Yet, model accuracy can degrade due to concept drift, whereby the relationship between the features and the target to be predicted changes. Mitigating concept drift is an essential part of operationalizing machine learning models in general, but is of particular importance in networking's highly dynamic deployment environments. In this paper, we first characterize concept drift in a large cellular network for a major metropolitan area in the United States. We find that concept drift occurs across many important key performance indicators (KPIs), independently of the model, training set size, and time interval -- thus necessitating practical approaches to detect, explain, and mitigate it. We then show that frequent model retraining with newly available data is not sufficient to mitigate concept drift, and can even degrade model accuracy further. Finally, we develop a new methodology for concept drift mitigation, Local Error Approximation of Features (LEAF). LEAF works by detecting drift; explaining the features and time intervals that contribute the most to drift; and mitigates it using forgetting and over-sampling. We evaluate LEAF against industry-standard mitigation approaches (notably, periodic retraining) with more than four years of cellular KPI data. Our initial tests with a major cellular provider in the US show that LEAF consistently outperforms periodic and triggered retraining on complex, real-world data while reducing costly retraining operations.  ( 2 min )

Although neural networks are widely used, it remains challenging to formally verify the safety and robustness of neural networks in real-world applications. Existing methods are designed to verify the network before deployment, which are limited to relatively simple specifications and fixed networks. These methods are not ready to be applied to real-world problems with complex and/or dynamically changing specifications and networks. To effectively handle such problems, verification needs to be performed online when these changes take place. However, it is still challenging to run existing verification algorithms online. Our key insight is that we can leverage the temporal dependencies of these changes to accelerate the verification process. This paper establishes a novel framework for scalable online verification to solve real-world verification problems with dynamically changing specifications and/or networks. We propose three types of acceleration algorithms: Branch Management to reduce repetitive computation, Perturbation Tolerance to tolerate changes, and Incremental Computation to reuse previous results. Experiment results show that our algorithms achieve up to $100\times$ acceleration, and thus show a promising way to extend neural network verification to real-world applications.  ( 2 min )

Finding different solutions to the same problem is a key aspect of intelligence associated with creativity and adaptation to novel situations. In reinforcement learning, a set of diverse policies can be useful for exploration, transfer, hierarchy, and robustness. We propose DOMiNO, a method for Diversity Optimization Maintaining Near Optimality. We formalize the problem as a Constrained Markov Decision Process where the objective is to find diverse policies, measured by the distance between the state occupancies of the policies in the set, while remaining near-optimal with respect to the extrinsic reward. We demonstrate that the method can discover diverse and meaningful behaviors in various domains, such as different locomotion patterns in the DeepMind Control Suite. We perform extensive analysis of our approach, compare it with other multi-objective baselines, demonstrate that we can control both the quality and the diversity of the set via interpretable hyperparameters, and show that the discovered set is robust to perturbations.  ( 2 min )

In this paper, we study certifying the robustness of ReLU neural networks against adversarial input perturbations. To diminish the relaxation error suffered by the popular linear programming (LP) and semidefinite programming (SDP) certification methods, we take a branch-and-bound approach to propose partitioning the input uncertainty set and solving the relaxations on each part separately. We show that this approach reduces relaxation error, and that the error is eliminated entirely upon performing an LP relaxation with a partition intelligently designed to exploit the nature of the ReLU activations. To scale this approach to large networks, we consider using a coarser partition whereby the number of parts in the partition is reduced. We prove that computing such a coarse partition that directly minimizes the LP relaxation error is NP-hard. By instead minimizing the worst-case LP relaxation error, we develop a closed-form branching scheme. We extend the analysis to the SDP, where the feasible set geometry is exploited to design a branching scheme that minimizes the worst-case SDP relaxation error. Experiments on MNIST, CIFAR-10, and Wisconsin breast cancer diagnosis classifiers demonstrate significant increases in the percentages of test samples certified. By independently increasing the input size and the number of layers, we empirically illustrate under which regimes the branched LP and branched SDP are best applied.  ( 2 min )

To act in the world, robots rely on a representation of salient task aspects: for example, to carry a cup of coffee, a robot must consider movement efficiency and cup orientation in its behaviour. However, if we want robots to act for and with people, their representations must not be just functional but also reflective of what humans care about, i.e. their representations must be aligned with humans'. In this survey, we pose that current reward and imitation learning approaches suffer from representation misalignment, where the robot's learned representation does not capture the human's representation. We suggest that because humans will be the ultimate evaluator of robot performance in the world, it is critical that we explicitly focus our efforts on aligning learned task representations with humans, in addition to learning the downstream task. We advocate that current representation learning approaches in robotics should be studied from the perspective of how well they accomplish the objective of representation alignment. To do so, we mathematically define the problem, identify its key desiderata, and situate current robot learning methods within this formalism. We conclude the survey by suggesting future directions for exploring open challenges.  ( 2 min )

The use of Neural Architecture Search (NAS) techniques to automate the design of neural networks has become increasingly popular in recent years. The proliferation of devices with different hardware characteristics using such neural networks, as well as the need to reduce the power consumption for their search, has led to the realisation of Once-For-All (OFA), an eco-friendly algorithm characterised by the ability to generate easily adaptable models through a single learning process. In order to improve this paradigm and develop high-performance yet eco-friendly NAS techniques, this paper presents OFAv2, the extension of OFA aimed at improving its performance while maintaining the same ecological advantage. The algorithm is improved from an architectural point of view by including early exits, parallel blocks and dense skip connections. The training process is extended by two new phases called Elastic Level and Elastic Height. A new Knowledge Distillation technique is presented to handle multi-output networks, and finally a new strategy for dynamic teacher network selection is proposed. These modifications allow OFAv2 to improve its accuracy performance on the Tiny ImageNet dataset by up to 12.07% compared to the original version of OFA, while maintaining the algorithm flexibility and advantages.  ( 2 min )

Datasets in the real world are often complex and to some degree hierarchical, with groups and sub-groups of data sharing common characteristics at different levels of abstraction. Understanding and uncovering the hidden structure of these datasets is an important task that has many practical applications. To address this challenge, we present a new and general method for building relational data trees by exploiting the learning dynamics of the Restricted Boltzmann Machine (RBM). Our method is based on the mean-field approach, derived from the Plefka expansion, and developed in the context of disordered systems. It is designed to be easily interpretable. We tested our method in an artificially created hierarchical dataset and on three different real-world datasets (images of digits, mutations in the human genome, and a homologous family of proteins). The method is able to automatically identify the hierarchical structure of the data. This could be useful in the study of homologous protein sequences, where the relationships between proteins are critical for understanding their function and evolution.  ( 2 min )

Data representativity is crucial when drawing inference from data through machine learning models. Scholars have increased focus on unraveling the bias and fairness in models, also in relation to inherent biases in the input data. However, limited work exists on the representativity of samples (datasets) for appropriate inference in AI systems. This paper reviews definitions and notions of a representative sample and surveys their use in scientific AI literature. We introduce three measurable concepts to help focus the notions and evaluate different data samples. Furthermore, we demonstrate that the contrast between a representative sample in the sense of coverage of the input space, versus a representative sample mimicking the distribution of the target population is of particular relevance when building AI systems. Through empirical demonstrations on US Census data, we evaluate the opposing inherent qualities of these concepts. Finally, we propose a framework of questions for creating and documenting data with data representativity in mind, as an addition to existing dataset documentation templates.  ( 2 min )

The paper presents a study on using language models to automate the construction of executable Knowledge Graph (KG) for compliance. The paper focuses on Abu Dhabi Global Market regulations and taxonomy, involves manual tagging a portion of the regulations, training BERT-based models, which are then applied to the rest of the corpus. Coreference resolution and syntax analysis were used to parse the relationships between the tagged entities and to form KG stored in a Neo4j database. The paper states that the use of machine learning models released by regulators to automate the interpretation of rules is a vital step towards compliance automation, demonstrates the concept querying with Cypher, and states that the produced sub-graphs combined with Graph Neural Networks (GNN) will achieve expandability in judgment automation systems. The graph is open sourced on GitHub to provide structured data for future advancements in the field.  ( 2 min )

Display Ads and the generalized assignment problem are two well-studied online packing problems with important applications in ad allocation and other areas. In both problems, ad impressions arrive online and have to be allocated immediately to budget-constrained advertisers. Worst-case algorithms that achieve the ideal competitive ratio are known, but might act overly conservative given the predictable and usually tame nature of real-world input. Given this discrepancy, we develop an algorithm for both problems that incorporate machine-learned predictions and can thus improve the performance beyond the worst-case. Our algorithm is based on the work of Feldman et al. (2009) and similar in nature to Mahdian et al. (2007) who were the first to develop a learning-augmented algorithm for the related, but more structured Ad Words problem. We use a novel analysis to show that our algorithm is able to capitalize on a good prediction, while being robust against poor predictions. We experimentally evaluate our algorithm on synthetic and real-world data on a wide range of predictions. Our algorithm is consistently outperforming the worst-case algorithm without predictions.  ( 2 min )

We study the relationship between two desiderata of algorithms in statistical inference and machine learning: differential privacy and robustness to adversarial data corruptions. Their conceptual similarity was first observed by Dwork and Lei (STOC 2009), who observed that private algorithms satisfy robustness, and gave a general method for converting robust algorithms to private ones. However, all general methods for transforming robust algorithms into private ones lead to suboptimal error rates. Our work gives the first black-box transformation that converts any adversarially robust algorithm into one that satisfies pure differential privacy. Moreover, we show that for any low-dimensional estimation task, applying our transformation to an optimal robust estimator results in an optimal private estimator. Thus, we conclude that for any low-dimensional task, the optimal error rate for $\varepsilon$-differentially private estimators is essentially the same as the optimal error rate for estimators that are robust to adversarially corrupting $1/\varepsilon$ training samples. We apply our transformation to obtain new optimal private estimators for several high-dimensional tasks, including Gaussian (sparse) linear regression and PCA. Finally, we present an extension of our transformation that leads to approximate differentially private algorithms whose error does not depend on the range of the output space, which is impossible under pure differential privacy.  ( 2 min )

Diffusion models have demonstrated their powerful generative capability in many tasks, with great potential to serve as a paradigm for offline reinforcement learning. However, the quality of the diffusion model is limited by the insufficient diversity of training data, which hinders the performance of planning and the generalizability to new tasks. This paper introduces AdaptDiffuser, an evolutionary planning method with diffusion that can self-evolve to improve the diffusion model hence a better planner, not only for seen tasks but can also adapt to unseen tasks. AdaptDiffuser enables the generation of rich synthetic expert data for goal-conditioned tasks using guidance from reward gradients. It then selects high-quality data via a discriminator to finetune the diffusion model, which improves the generalization ability to unseen tasks. Empirical experiments on two benchmark environments and two carefully designed unseen tasks in KUKA industrial robot arm and Maze2D environments demonstrate the effectiveness of AdaptDiffuser. For example, AdaptDiffuser not only outperforms the previous art Diffuser by 20.8% on Maze2D and 7.5% on MuJoCo locomotion, but also adapts better to new tasks, e.g., KUKA pick-and-place, by 27.9% without requiring additional expert data.  ( 2 min )

Physics informed neural networks (PINNs) have proven to be an efficient tool to represent problems for which measured data are available and for which the dynamics in the data are expected to follow some physical laws. In this paper, we suggest a multiobjective perspective on the training of PINNs by treating the data loss and the residual loss as two individual objective functions in a truly biobjective optimization approach. As a showcase example, we consider COVID-19 predictions in Germany and built an extended susceptibles-infected-recovered (SIR) model with additionally considered leaky-vaccinated and hospitalized populations (SVIHR model) to model the transition rates and to predict future infections. SIR-type models are expressed by systems of ordinary differential equations (ODEs). We investigate the suitability of the generated PINN for COVID-19 predictions and compare the resulting predicted curves with those obtained by applying the method of non-standard finite differences to the system of ODEs and initial data. The approach is applicable to various systems of ODEs that define dynamical regimes. Those regimes do not need to be SIR-type models, and the corresponding underlying data sets do not have to be associated with COVID-19.  ( 2 min )

Natural language processing (NLP) is a promising approach for analyzing large volumes of climate-change and infrastructure-related scientific literature. However, best-in-practice NLP techniques require large collections of relevant documents (corpus). Furthermore, NLP techniques using machine learning and deep learning techniques require labels grouping the articles based on user-defined criteria for a significant subset of a corpus in order to train the supervised model. Even labeling a few hundred documents with human subject-matter experts is a time-consuming process. To expedite this process, we developed a weak supervision-based NLP approach that leverages semantic similarity between categories and documents to (i) establish a topic-specific corpus by subsetting a large-scale open-access corpus and (ii) generate category labels for the topic-specific corpus. In comparison with a months-long process of subject-matter expert labeling, we assign category labels to the whole corpus using weak supervision and supervised learning in about 13 hours. The labeled climate and NCF corpus enable targeted, efficient identification of documents discussing a topic (or combination of topics) of interest and identification of various effects of climate change on critical infrastructure, improving the usability of scientific literature and ultimately supporting enhanced policy and decision making. To demonstrate this capability, we conduct topic modeling on pairs of climate hazards and NCFs to discover trending topics at the intersection of these categories. This method is useful for analysts and decision-makers to quickly grasp the relevant topics and most important documents linked to the topic.  ( 2 min )

Despite the prevalence and many successes of deep learning applications in de novo molecular design, the problem of peptide generation targeting specific proteins remains unsolved. A main barrier for this is the scarcity of the high-quality training data. To tackle the issue, we propose a novel machine learning based peptide design architecture, called Latent Space Approximate Trajectory Collector (LSATC). It consists of a series of samplers on an optimization trajectory on a highly non-convex energy landscape that approximates the distributions of peptides with desired properties in a latent space. The process involves little human intervention and can be implemented in an end-to-end manner. We demonstrate the model by the design of peptide extensions targeting Beta-catenin, a key nuclear effector protein involved in canonical Wnt signalling. When compared with a random sampler, LSATC can sample peptides with $36\%$ lower binding scores in a $16$ times smaller interquartile range (IQR) and $284\%$ less hydrophobicity with a $1.4$ times smaller IQR. LSATC also largely outperforms other common generative models. Finally, we utilized a clustering algorithm to select 4 peptides from the 100 LSATC designed peptides for experimental validation. The result confirms that all the four peptides extended by LSATC show improved Beta-catenin binding by at least $20.0\%$, and two of the peptides show a $3$ fold increase in binding affinity as compared to the base peptide.

This work is a study of acoustic non-reciprocity exhibited by a passive one-dimensional linear waveguide incorporating two local strongly nonlinear, asymmetric gates. Two local nonlinear gates break the symmetry and linearity of the waveguide, yielding strong global non-reciprocal acoustics, in the way that extremely different acoustical responses occur depending on the side of application of harmonic excitation. To the authors' best knowledge that the present two-gated waveguide is capable of extremely high acoustic non-reciprocity, at a much higher level to what is reported by active or passive devices in the current literature; moreover, this extreme performance combines with acceptable levels of transmissibility in the desired direction of wave propagation. Machine learning is utilized for predictive design of this gated waveguide in terms of the measures of transmissibility and non-reciprocity, with the aim of reducing the required computational time for high-dimensional parameter space analysis. The study sheds new light into the physics of these media and considers the advantages and limitations of using neural networks to analyze this type of physical problems. In the predicted desirable parameter space for intense non-reciprocity, the maximum transmissibility reaches as much as 40%, and the transmitted energy from upstream to downstream varies up to nine orders of magnitude, depending on the direction of wave transmission. The machine learning tools along with the numerical methods of this work can inform predictive designs of practical non-reciprocal waveguides and acoustic metamaterials that incorporate local nonlinear gates. The current paper shows that combinations of nonlinear gates can lead to extremely high non-reciprocity while maintaining desired levels of transmissibility.  ( 2 min )

The early detection of glaucoma is essential in preventing visual impairment. Artificial intelligence (AI) can be used to analyze color fundus photographs (CFPs) in a cost-effective manner, making glaucoma screening more accessible. While AI models for glaucoma screening from CFPs have shown promising results in laboratory settings, their performance decreases significantly in real-world scenarios due to the presence of out-of-distribution and low-quality images. To address this issue, we propose the Artificial Intelligence for Robust Glaucoma Screening (AIROGS) challenge. This challenge includes a large dataset of around 113,000 images from about 60,000 patients and 500 different screening centers, and encourages the development of algorithms that are robust to ungradable and unexpected input data. We evaluated solutions from 14 teams in this paper, and found that the best teams performed similarly to a set of 20 expert ophthalmologists and optometrists. The highest-scoring team achieved an area under the receiver operating characteristic curve of 0.99 (95% CI: 0.98-0.99) for detecting ungradable images on-the-fly. Additionally, many of the algorithms showed robust performance when tested on three other publicly available datasets. These results demonstrate the feasibility of robust AI-enabled glaucoma screening.  ( 2 min )

In vision-based action recognition, spatio-temporal features from different modalities are used for recognizing activities. Temporal modeling is a long challenge of action recognition. However, there are limited methods such as pre-computed motion features, three-dimensional (3D) filters, and recurrent neural networks (RNN) for modeling motion information in deep-based approaches. Recently, transformers success in modeling long-range dependencies in natural language processing (NLP) tasks has gotten great attention from other domains; including speech, image, and video, to rely entirely on self-attention without using sequence-aligned RNNs or convolutions. Although the application of transformers to action recognition is relatively new, the amount of research proposed on this topic within the last few years is astounding. This paper especially reviews recent progress in deep learning methods for modeling temporal variations. It focuses on action recognition methods that use transformers for temporal modeling, discussing their main features, used modalities, and identifying opportunities and challenges for future research.

In this paper, we present a deep learning segmentation approach to classify and quantify the two most prevalent primary liver cancers - hepatocellular carcinoma and intrahepatic cholangiocarcinoma - from hematoxylin and eosin (H&E) stained whole slide images. While semantic segmentation of medical images typically requires costly pixel-level annotations by domain experts, there often exists additional information which is routinely obtained in clinical diagnostics but rarely utilized for model training. We propose to leverage such weak information from patient diagnoses by deriving complementary labels that indicate to which class a sample cannot belong to. To integrate these labels, we formulate a complementary loss for segmentation. Motivated by the medical application, we demonstrate for general segmentation tasks that including additional patches with solely weak complementary labels during model training can significantly improve the predictive performance and robustness of a model. On the task of diagnostic differentiation between hepatocellular carcinoma and intrahepatic cholangiocarcinoma, we achieve a balanced accuracy of 0.91 (CI 95%: 0.86 - 0.95) at case level for 165 hold-out patients. Furthermore, we also show that leveraging complementary labels improves the robustness of segmentation and increases performance at case level.  ( 2 min )

We argue that all building blocks of transformer models can be expressed with a single concept: combinatorial Hopf algebra. Transformer learning emerges as a result of the subtle interplay between the algebraic and coalgebraic operations of the combinatorial Hopf algebra. Viewed through this lens, the transformer model becomes a linear time-invariant system where the attention mechanism computes a generalized convolution transform and the residual stream serves as a unit impulse. Attention-only transformers then learn by enforcing an invariant between these two paths. We call this invariant Hopf coherence. Due to this, with a degree of poetic license, one could call combinatorial Hopf algebras "tensors with a built-in loss function gradient". This loss function gradient occurs within the single layers and no backward pass is needed. This is in contrast to automatic differentiation which happens across the whole graph and needs a explicit backward pass. This property is the result of the fact that combinatorial Hopf algebras have the surprising property of calculating eigenvalues by repeated squaring.  ( 2 min )

In recent years, Physics-informed neural networks (PINNs) have been widely used to solve partial differential equations alongside numerical methods because PINNs can be trained without observations and deal with continuous-time problems directly. In contrast, optimizing the parameters of such models is difficult, and individual training sessions must be performed to predict the evolutions of each different initial condition. To alleviate the first problem, observed data can be injected directly into the loss function part. To solve the second problem, a network architecture can be built as a framework to learn a finite difference method. In view of the two motivations, we propose Five-point stencil CNNs (FCNNs) containing a five-point stencil kernel and a trainable approximation function for reaction-diffusion type equations including the heat, Fisher's, Allen-Cahn, and other reaction-diffusion equations with trigonometric function terms. We show that FCNNs can learn finite difference schemes using few data and achieve the low relative errors of diverse reaction-diffusion evolutions with unseen initial conditions. Furthermore, we demonstrate that FCNNs can still be trained well even with using noisy data.

In pre-clinical pathology, there is a paradox between the abundance of raw data (whole slide images from many organs of many individual animals) and the lack of pixel-level slide annotations done by pathologists. Due to time constraints and requirements from regulatory authorities, diagnoses are instead stored as slide labels. Weakly supervised training is designed to take advantage of those data, and the trained models can be used by pathologists to rank slides by their probability of containing a given lesion of interest. In this work, we propose a novel contextualized eXplainable AI (XAI) framework and its application to deep learning models trained on Whole Slide Images (WSIs) in Digital Pathology. Specifically, we apply our methods to a multi-instance-learning (MIL) model, which is trained solely on slide-level labels, without the need for pixel-level annotations. We validate quantitatively our methods by quantifying the agreements of our explanations' heatmaps with pathologists' annotations, as well as with predictions from a segmentation model trained on such annotations. We demonstrate the stability of the explanations with respect to input shifts, and the fidelity with respect to increased model performance. We quantitatively evaluate the correlation between available pixel-wise annotations and explainability heatmaps. We show that the explanations on important tiles of the whole slide correlate with tissue changes between healthy regions and lesions, but do not exactly behave like a human annotator. This result is coherent with the model training strategy.  ( 2 min )

Byzantine machine learning (ML) aims to ensure the resilience of distributed learning algorithms to misbehaving (or Byzantine) machines. Although this problem received significant attention, prior works often assume the data held by the machines to be homogeneous, which is seldom true in practical settings. Data heterogeneity makes Byzantine ML considerably more challenging, since a Byzantine machine can hardly be distinguished from a non-Byzantine outlier. A few solutions have been proposed to tackle this issue, but these provide suboptimal probabilistic guarantees and fare poorly in practice. This paper closes the theoretical gap, achieving optimality and inducing good empirical results. In fact, we show how to automatically adapt existing solutions for (homogeneous) Byzantine ML to the heterogeneous setting through a powerful mechanism, we call nearest neighbor mixing (NNM), which boosts any standard robust distributed gradient descent variant to yield optimal Byzantine resilience under heterogeneity. We obtain similar guarantees (in expectation) by plugging NNM in the distributed stochastic heavy ball method, a practical substitute to distributed gradient descent. We obtain empirical results that significantly outperform state-of-the-art Byzantine ML solutions.  ( 2 min )

Continual learning is the problem of learning from a nonstationary stream of data, a fundamental issue for sustainable and efficient training of deep neural networks over time. Unfortunately, deep learning libraries only provide primitives for offline training, assuming that model's architecture and data are fixed. Avalanche is an open source library maintained by the ContinualAI non-profit organization that extends PyTorch by providing first-class support for dynamic architectures, streams of datasets, and incremental training and evaluation methods. Avalanche provides a large set of predefined benchmarks and training algorithms and it is easy to extend and modular while supporting a wide range of continual learning scenarios. Documentation is available at \url{https://avalanche.continualai.org}.  ( 2 min )

Certified defenses are a recent development in adversarial machine learning (ML), which aim to rigorously guarantee the robustness of ML models to adversarial perturbations. A large body of work studies certified defenses in computer vision, where $\ell_p$ norm-bounded evasion attacks are adopted as a tractable threat model. However, this threat model has known limitations in vision, and is not applicable to other domains -- e.g., where inputs may be discrete or subject to complex constraints. Motivated by this gap, we study certified defenses for malware detection, a domain where attacks against ML-based systems are a real and current threat. We consider static malware detection systems that operate on byte-level data. Our certified defense is based on the approach of randomized smoothing which we adapt by: (1) replacing the standard Gaussian randomization scheme with a novel deletion randomization scheme that operates on bytes or chunks of an executable; and (2) deriving a certificate that measures robustness to evasion attacks in terms of generalized edit distance. To assess the size of robustness certificates that are achievable while maintaining high accuracy, we conduct experiments on malware datasets using a popular convolutional malware detection model, MalConv. We are able to accurately classify 91% of the inputs while being certifiably robust to any adversarial perturbations of edit distance 128 bytes or less. By comparison, an existing certification of up to 128 bytes of substitutions (without insertions or deletions) achieves an accuracy of 78%. In addition, given that robustness certificates are conservative, we evaluate practical robustness to several recently published evasion attacks and, in some cases, find robustness beyond certified guarantees.  ( 2 min )

Reward function is essential in reinforcement learning (RL), serving as the guiding signal to incentivize agents to solve given tasks, however, is also notoriously difficult to design. In many cases, only imperfect rewards are available, which inflicts substantial performance loss for RL agents. In this study, we propose a unified offline policy optimization approach, \textit{RGM (Reward Gap Minimization)}, which can smartly handle diverse types of imperfect rewards. RGM is formulated as a bi-level optimization problem: the upper layer optimizes a reward correction term that performs visitation distribution matching w.r.t. some expert data; the lower layer solves a pessimistic RL problem with the corrected rewards. By exploiting the duality of the lower layer, we derive a tractable algorithm that enables sampled-based learning without any online interactions. Comprehensive experiments demonstrate that RGM achieves superior performance to existing methods under diverse settings of imperfect rewards. Further, RGM can effectively correct wrong or inconsistent rewards against expert preference and retrieve useful information from biased rewards.  ( 2 min )

Third-party resources ($e.g.$, samples, backbones, and pre-trained models) are usually involved in the training of deep neural networks (DNNs), which brings backdoor attacks as a new training-phase threat. In general, backdoor attackers intend to implant hidden backdoor in DNNs, so that the attacked DNNs behave normally on benign samples whereas their predictions will be maliciously changed to a pre-defined target label if hidden backdoors are activated by attacker-specified trigger patterns. To facilitate the research and development of more secure training schemes and defenses, we design an open-sourced Python toolbox that implements representative and advanced backdoor attacks and defenses under a unified and flexible framework. Our toolbox has four important and promising characteristics, including consistency, simplicity, flexibility, and co-development. It allows researchers and developers to easily implement and compare different methods on benchmark or their local datasets. This Python toolbox, namely \texttt{BackdoorBox}, is available at \url{https://github.com/THUYimingLi/BackdoorBox}.  ( 2 min )

In various applications, probabilistic forecasts are required to quantify the inherent uncertainty associated with the forecast. However, numerous modern forecasting methods are still designed to create deterministic forecasts. Transforming these deterministic forecasts into probabilistic forecasts is often challenging and based on numerous assumptions that may not hold in real-world situations. Therefore, the present article proposes a novel approach for creating probabilistic forecasts from arbitrary deterministic forecasts. In order to implement this approach, we use a conditional Invertible Neural Network (cINN). More specifically, we apply a cINN to learn the underlying distribution of the data and then combine the uncertainty from this distribution with an arbitrary deterministic forecast to generate accurate probabilistic forecasts. Our approach enables the simple creation of probabilistic forecasts without complicated statistical loss functions or further assumptions. Besides showing the mathematical validity of our approach, we empirically show that our approach noticeably outperforms traditional methods for including uncertainty in deterministic forecasts and generally outperforms state-of-the-art probabilistic forecasting benchmarks.  ( 2 min )

Network anomaly detection is a very relevant research area nowadays, especially due to its multiple applications in the field of network security. The boost of new models based on variational autoencoders and generative adversarial networks has motivated a reevaluation of traditional techniques for anomaly detection. It is, however, essential to be able to understand these new models from the perspective of the experience attained from years of evaluating network security data for anomaly detection. In this paper, we revisit anomaly detection techniques based on PCA from a probabilistic generative model point of view, and contribute a mathematical model that relates them. Specifically, we start with the probabilistic PCA model and explain its connection to the Multivariate Statistical Network Monitoring (MSNM) framework. MSNM was recently successfully proposed as a means of incorporating industrial process anomaly detection experience into the field of networking. We have evaluated the mathematical model using two different datasets. The first, a synthetic dataset created to better understand the analysis proposed, and the second, UGR'16, is a specifically designed real-traffic dataset for network security anomaly detection. We have drawn conclusions that we consider to be useful when applying generative models to network security detection.

Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence. While existing work focuses on using the variance of the Bayesian posterior due to parameter uncertainty as a measure of epistemic uncertainty, we argue that this does not capture the part of lack of knowledge induced by model misspecification. We discuss how the excess risk, which is the gap between the generalization error of a predictor and the Bayes predictor, is a sound measure of epistemic uncertainty which captures the effect of model misspecification. We thus propose a principled framework for directly estimating the excess risk by learning a secondary predictor for the generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. We discuss the merits of this novel measure of epistemic uncertainty, and highlight how it differs from variance-based measures of epistemic uncertainty and addresses its major pitfall. Our framework, Direct Epistemic Uncertainty Prediction (DEUP) is particularly interesting in interactive learning environments, where the learner is allowed to acquire novel examples in each round. Through a wide set of experiments, we illustrate how existing methods in sequential model optimization can be improved with epistemic uncertainty estimates from DEUP, and how DEUP can be used to drive exploration in reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic image classification and predicting synergies of drug combinations.

We propose a new class of linear Transformers called FourierLearner-Transformers (FLTs), which incorporate a wide range of relative positional encoding mechanisms (RPEs). These include regular RPE techniques applied for nongeometric data, as well as novel RPEs operating on the sequences of tokens embedded in higher-dimensional Euclidean spaces (e.g. point clouds). FLTs construct the optimal RPE mechanism implicitly by learning its spectral representation. As opposed to other architectures combining efficient low-rank linear attention with RPEs, FLTs remain practical in terms of their memory usage and do not require additional assumptions about the structure of the RPE-mask. FLTs allow also for applying certain structural inductive bias techniques to specify masking strategies, e.g. they provide a way to learn the so-called local RPEs introduced in this paper and providing accuracy gains as compared with several other linear Transformers for language modeling. We also thoroughly tested FLTs on other data modalities and tasks, such as: image classification and 3D molecular modeling. For 3D-data FLTs are, to the best of our knowledge, the first Transformers architectures providing RPE-enhanced linear attention.

Non-Fungible Tokens (NFTs) represent deeds of ownership, based on blockchain technologies and smart contracts, of unique crypto assets on digital art forms (e.g., artworks or collectibles). In the spotlight after skyrocketing in 2021, NFTs have attracted the attention of crypto enthusiasts and investors intent on placing promising investments in this profitable market. However, the NFT financial performance prediction has not been widely explored to date. In this work, we address the above problem based on the hypothesis that NFT images and their textual descriptions are essential proxies to predict the NFT selling prices. To this purpose, we propose MERLIN, a novel multimodal deep learning framework designed to train Transformer-based language and visual models, along with graph neural network models, on collections of NFTs' images and texts. A key aspect in MERLIN is its independence on financial features, as it exploits only the primary data a user interested in NFT trading would like to deal with, i.e., NFT images and textual descriptions. By learning dense representations of such data, a price-category classification task is performed by MERLIN models, which can also be tuned according to user preferences in the inference phase to mimic different risk-return investment profiles. Experimental evaluation on a publicly available dataset has shown that MERLIN models achieve significant performances according to several financial assessment criteria, fostering profitable investments, and also beating baseline machine-learning classifiers based on financial features.  ( 2 min )

Deep learning (DL) has emerged as a promising tool to downscale climate projections at regional-to-local scales from large-scale atmospheric fields following the perfect-prognosis (PP) approach. Given their complexity, it is crucial to properly evaluate these methods, especially when applied to changing climatic conditions where the ability to extrapolate/generalise is key. In this work, we intercompare several DL models extracted from the literature for the same challenging use-case (downscaling temperature in the CORDEX North America domain) and expand standard evaluation methods building on eXplainable artifical intelligence (XAI) techniques. We show how these techniques can be used to unravel the internal behaviour of these models, providing new evaluation dimensions and aiding in their diagnostic and design. These results show the usefulness of incorporating XAI techniques into statistical downscaling evaluation frameworks, especially when working with large regions and/or under climate change conditions.

Recently, the impressive empirical success of policy gradient (PG) methods has catalyzed the development of their theoretical foundations. Despite the huge efforts directed at the design of efficient stochastic PG-type algorithms, the understanding of their convergence to a globally optimal policy is still limited. In this work, we develop improved global convergence guarantees for a general class of Fisher-non-degenerate parameterized policies which allows to address the case of continuous state action spaces. First, we propose a Normalized Policy Gradient method with Implicit Gradient Transport (N-PG-IGT) and derive a $\tilde{\mathcal{O}}(\varepsilon^{-2.5})$ sample complexity of this method for finding a global $\varepsilon$-optimal policy. Improving over the previously known $\tilde{\mathcal{O}}(\varepsilon^{-3})$ complexity, this algorithm does not require the use of importance sampling or second-order information and samples only one trajectory per iteration. Second, we further improve this complexity to $\tilde{ \mathcal{\mathcal{O}} }(\varepsilon^{-2})$ by considering a Hessian-Aided Recursive Policy Gradient ((N)-HARPG) algorithm enhanced with a correction based on a Hessian-vector product. Interestingly, both algorithms are $(i)$ simple and easy to implement: single-loop, do not require large batches of trajectories and sample at most two trajectories per iteration; $(ii)$ computationally and memory efficient: they do not require expensive subroutines at each iteration and can be implemented with memory linear in the dimension of parameters.

Recently, short video platforms have achieved rapid user growth by recommending interesting content to users. The objective of the recommendation is to optimize user retention, thereby driving the growth of DAU (Daily Active Users). Retention is a long-term feedback after multiple interactions of users and the system, and it is hard to decompose retention reward to each item or a list of items. Thus traditional point-wise and list-wise models are not able to optimize retention. In this paper, we choose reinforcement learning methods to optimize the retention as they are designed to maximize the long-term performance. We formulate the problem as an infinite-horizon request-based Markov Decision Process, and our objective is to minimize the accumulated time interval of multiple sessions, which is equal to improving the app open frequency and user retention. However, current reinforcement learning algorithms can not be directly applied in this setting due to uncertainty, bias, and long delay time incurred by the properties of user retention. We propose a novel method, dubbed RLUR, to address the aforementioned challenges. Both offline and live experiments show that RLUR can significantly improve user retention. RLUR has been fully launched in Kuaishou app for a long time, and achieves consistent performance improvement on user retention and DAU.  ( 2 min )

This work studies reinforcement learning (RL) in the context of multi-period supply chains subject to constraints, e.g., on production and inventory. We introduce Distributional Constrained Policy Optimization (DCPO), a novel approach for reliable constraint satisfaction in RL. Our approach is based on Constrained Policy Optimization (CPO), which is subject to approximation errors that in practice lead it to converge to infeasible policies. We address this issue by incorporating aspects of distributional RL into DCPO. Specifically, we represent the return and cost value functions using neural networks that output discrete distributions, and we reshape costs based on the associated confidence. Using a supply chain case study, we show that DCPO improves the rate at which the RL policy converges and ensures reliable constraint satisfaction by the end of training. The proposed method also improves predictability, greatly reducing the variance of returns between runs, respectively; this result is significant in the context of policy gradient methods, which intrinsically introduce significant variance during training.  ( 2 min )

Transfer learning is known to perform efficiently in many applications empirically, yet limited literature reports the mechanism behind the scene. This study establishes both formal derivations and heuristic analysis to formulate the theory of transfer learning in deep learning. Our framework utilizing layer variational analysis proves that the success of transfer learning can be guaranteed with corresponding data conditions. Moreover, our theoretical calculation yields intuitive interpretations towards the knowledge transfer process. Subsequently, an alternative method for network-based transfer learning is derived. The method shows an increase in efficiency and accuracy for domain adaptation. It is particularly advantageous when new domain data is sufficiently sparse during adaptation. Numerical experiments over diverse tasks validated our theory and verified that our analytic expression achieved better performance in domain adaptation than the gradient descent method.  ( 2 min )

Protecting sensitive data is an essential part of security in cloud computing. However, only specific privileged individuals have access to view or interact with this data; therefore, it is unscalable to depend on these individuals also to maintain the software. A solution to this is to allow non-privileged individuals access to maintain these systems but mask sensitive information from egressing. To this end, we have created a machine-learning model to predict and redact fields with sensitive data. This work concentrates on Azure PowerShell, showing how it applies to other command-line interfaces and APIs. Using the F5-score as a weighted metric, we demonstrate different transformation techniques to map this problem from an unknown field to the well-researched area of natural language processing.  ( 2 min )

We introduce a novel approach to user authentication called Motion ID. The method employs motion sensing provided by inertial measurement units (IMUs), using it to verify the persons identity via short time series of IMU data captured by the mobile device. The paper presents two labeled datasets with unlock events: the first features IMU measurements, provided by six users who continuously collected data on six different smartphones for a period of 12 weeks. The second one contains 50 hours of IMU data for one specific motion pattern, provided by 101 users. Moreover, we present a two-stage user authentication process that employs motion pattern identification and user verification and is based on data preprocessing and machine learning. The Results section details the assessment of the method proposed, comparing it with existing biometric authentication methods and the Android biometric standard. The method has demonstrated high accuracy, indicating that it could be successfully used in combination with existing methods. Furthermore, the method exhibits significant promise as a standalone solution. We provide the datasets to the scholarly community and share our project code.  ( 2 min )

Generative adversarial networks (GANs) are known for their strong abilities on capturing the underlying distribution of training instances. Since the seminal work of GAN, many variants of GAN have been proposed. However, existing GANs are almost established on the assumption that the training dataset is clean. But in many real-world applications, this may not hold, that is, the training dataset may be contaminated by a proportion of undesired instances. When training on such datasets, existing GANs will learn a mixture distribution of desired and contaminated instances, rather than the desired distribution of desired data only (target distribution). To learn the target distribution from contaminated datasets, two purified generative adversarial networks (PuriGAN) are developed, in which the discriminators are augmented with the capability to distinguish between target and contaminated instances by leveraging an extra dataset solely composed of contamination instances. We prove that under some mild conditions, the proposed PuriGANs are guaranteed to converge to the distribution of desired instances. Experimental results on several datasets demonstrate that the proposed PuriGANs are able to generate much better images from the desired distribution than comparable baselines when trained on contaminated datasets. In addition, we also demonstrate the usefulness of PuriGAN on downstream applications by applying it to the tasks of semi-supervised anomaly detection on contaminated datasets and PU-learning. Experimental results show that PuriGAN is able to deliver the best performance over comparable baselines on both tasks.  ( 2 min )

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a sequence of steps), generative models (as they learn to represent and sample from a distribution) and amortized variational methods (as they can be used to learn to approximate and sample from an otherwise intractable posterior, given a prior and a likelihood). They are trained to generate an object $x$ through a sequence of steps with probability proportional to some reward function $R(x)$ (or $\exp(-\mathcal{E}(x))$ with $\mathcal{E}(x)$ denoting the energy function), given at the end of the generative trajectory. Like for other RL settings where the reward is only given at the end, the efficiency of training and credit assignment may suffer when those trajectories are longer. With previous GFlowNet work, no learning was possible from incomplete trajectories (lacking a terminal state and the computation of the associated reward). In this paper, we consider the case where the energy function can be applied not just to terminal states but also to intermediate states. This is for example achieved when the energy function is additive, with terms available along the trajectory. We show how to reparameterize the GFlowNet state flow function to take advantage of the partial reward already accrued at each state. This enables a training objective that can be applied to update parameters even with incomplete trajectories. Even when complete trajectories are available, being able to obtain more localized credit and gradients is found to speed up training convergence, as demonstrated across many simulations.  ( 2 min )

It is a known problem that deep-learning-based end-to-end (E2E) channel coding systems depend on a known and differentiable channel model, due to the learning process and based on the gradient-descent optimization methods. This places the challenge to approximate or generate the channel or its derivative from samples generated by pilot signaling in real-world scenarios. Currently, there are two prevalent methods to solve this problem. One is to generate the channel via a generative adversarial network (GAN), and the other is to, in essence, approximate the gradient via reinforcement learning methods. Other methods include using score-based methods, variational autoencoders, or mutual-information-based methods. In this paper, we focus on generative models and, in particular, on a new promising method called diffusion models, which have shown a higher quality of generation in image-based tasks. We will show that diffusion models can be used in wireless E2E scenarios and that they work as good as Wasserstein GANs while having a more stable training procedure and a better generalization ability in testing.  ( 2 min )

This paper introduces a novel residual correlation analysis, called AZ-analysis, to assess the optimality of spatio-temporal predictive models. The proposed AZ-analysis constitutes a valuable asset for discovering and highlighting those space-time regions where the model can be improved with respect to performance. The AZ-analysis operates under very mild assumptions and is based on a spatio-temporal graph that encodes serial and functional dependencies in the data; asymptotically distribution-free summary statistics identify existing residual correlation in space and time regions, hence localizing time frames and/or communities of sensors, where the predictor can be improved.  ( 2 min )

For medical image segmentation, contrastive learning is the dominant practice to improve the quality of visual representations by contrasting semantically similar and dissimilar pairs of samples. This is enabled by the observation that without accessing ground truth label, negative examples with truly dissimilar anatomical features, if sampled, can significantly improve the performance. In reality, however, these samples may come from similar anatomical features and the models may struggle to distinguish the minority tail-class samples, making the tail classes more prone to misclassification, both of which typically lead to model collapse. In this paper, we propose ARCO, a semi-supervised contrastive learning (CL) framework with stratified group sampling theory in medical image segmentation. In particular, we first propose building ARCO through the concept of variance-reduced estimation, and show that certain variance-reduction techniques are particularly beneficial in medical image segmentation tasks with extremely limited labels. Furthermore, we theoretically prove these sampling techniques are universal in variance reduction. Finally, we experimentally validate our approaches on three benchmark datasets with different label settings, and our methods consistently outperform state-of-the-art semi- and fully-supervised methods. Additionally, we augment the CL frameworks with these sampling techniques and demonstrate significant gains over previous methods. We believe our work is an important step towards semi-supervised medical image segmentation by quantifying the limitation of current self-supervision objectives for accomplishing medical image analysis tasks.  ( 2 min )

Deep learning achieves outstanding results in many machine learning tasks. Nevertheless, it is vulnerable to backdoor attacks that modify the training set to embed a secret functionality in the trained model. The modified training samples have a secret property, i.e., a trigger. At inference time, the secret functionality is activated when the input contains the trigger, while the model functions correctly in other cases. While there are many known backdoor attacks (and defenses), deploying a stealthy attack is still far from trivial. Successfully creating backdoor triggers heavily depends on numerous parameters. Unfortunately, research has not yet determined which parameters contribute most to the attack performance. This paper systematically analyzes the most relevant parameters for the backdoor attacks, i.e., trigger size, position, color, and poisoning rate. Using transfer learning, which is very common in computer vision, we evaluate the attack on numerous state-of-the-art models (ResNet, VGG, AlexNet, and GoogLeNet) and datasets (MNIST, CIFAR10, and TinyImageNet). Our attacks cover the majority of backdoor settings in research, providing concrete directions for future works. Our code is publicly available to facilitate the reproducibility of our results.  ( 2 min )

Artificial intelligence is finding its way into medical imaging, usually focusing on image reconstruction or enhancing analytical reconstructed images. However, optimizations along the complete processing chain, from detecting signals to computing data, enable significant improvements. Thus, we present an approach toward detector optimization using boosted learning by exploiting the concept of residual physics. In our work, we improve the coincidence time resolution (CTR) of positron emission tomography (PET) detectors. PET enables imaging of metabolic processes by detecting {\gamma}-photons with scintillation detectors. Current research exploits light-sharing detectors, where the scintillation light is distributed over and digitized by an array of readout channels. While these detectors demonstrate excellent performance parameters, e.g., regarding spatial resolution, extracting precise timing information for time-of-flight (TOF) becomes more challenging due to deteriorating effects called time skews. Conventional correction methods mainly rely on analytical formulations, theoretically capable of covering all time skew effects, e.g., caused by signal runtimes or physical effects. However, additional effects are involved for light-sharing detectors, so finding suitable analytical formulations can become arbitrarily complicated. The residual physics-based strategy uses gradient tree boosting (GTB) and a physics-informed data generation mimicking an actual imaging process by shifting a radiation source. We used clinically relevant detectors with a height of 19 mm, coupled to digital photosensor arrays. All trained models improved the CTR significantly. Using the best model, we achieved CTRs down to 198 ps (185 ps) for energies ranging from 300 keV to 700 keV (450 keV to 550 keV).  ( 2 min )

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential evolutionary knowledge from the universe of natural protein sequences, to acquire an immediate capability to design preferable protein sequences for given folds. We conduct a structural surgery on pLMs, where a lightweight structural adapter is implanted into pLMs and endows it with structural awareness. During inference, iterative refinement is performed to effectively optimize the generated protein sequences. Experiments show that our approach outperforms the state-of-the-art methods by a large margin, leading to up to 4% to 12% accuracy gains in sequence recovery (e.g., 55.65% and 56.63% on CATH 4.2 and 4.3 single-chain benchmarks, and >60% when designing protein complexes). We provide extensive and in-depth analyses, which verify that LM-Design can (1) indeed leverage both structural and sequential knowledge to accurately handle structurally non-deterministic regions, (2) benefit from scaling data and model size, and (3) generalize to other proteins (e.g., antibodies and de novo proteins)  ( 2 min )

The wide popularity of short videos on social media poses new opportunities and challenges to optimize recommender systems on the video-sharing platforms. Users sequentially interact with the system and provide complex and multi-faceted responses, including watch time and various types of interactions with multiple videos. One the one hand, the platforms aims at optimizing the users' cumulative watch time (main goal) in long term, which can be effectively optimized by Reinforcement Learning. On the other hand, the platforms also needs to satisfy the constraint of accommodating the responses of multiple user interactions (auxiliary goals) such like, follow, share etc. In this paper, we formulate the problem of short video recommendation as a Constrained Markov Decision Process (CMDP). We find that traditional constrained reinforcement learning algorithms can not work well in this setting. We propose a novel two-stage constrained actor-critic method: At stage one, we learn individual policies to optimize each auxiliary signal. At stage two, we learn a policy to (i) optimize the main signal and (ii) stay close to policies learned at the first stage, which effectively guarantees the performance of this main policy on the auxiliaries. Through extensive offline evaluations, we demonstrate effectiveness of our method over alternatives in both optimizing the main goal as well as balancing the others. We further show the advantage of our method in live experiments of short video recommendations, where it significantly outperforms other baselines in terms of both watch time and interactions. Our approach has been fully launched in the production system to optimize user experiences on the platform.  ( 2 min )

Generative Adversarial Networks (GANs) have achieved state-of-the-art results in tabular data synthesis, under the presumption of direct accessible training data. Vertical Federated Learning (VFL) is a paradigm which allows to distributedly train machine learning model with clients possessing unique features pertaining to the same individuals, where the tabular data learning is the primary use case. However, it is unknown if tabular GANs can be learned in VFL. Demand for secure data transfer among clients and GAN during training and data synthesizing poses extra challenge. Conditional vector for tabular GANs is a valuable tool to control specific features of generated data. But it contains sensitive information from real data - risking privacy guarantees. In this paper, we propose GTV, a VFL framework for tabular GANs, whose key components are generator, discriminator and the conditional vector. GTV proposes an unique distributed training architecture for generator and discriminator to access training data in a privacy-preserving manner. To accommodate conditional vector into training without privacy leakage, GTV designs a mechanism training-with-shuffling to ensure that no party can reconstruct training data with conditional vector. We evaluate the effectiveness of GTV in terms of synthetic data quality, and overall training scalability. Results show that GTV can consistently generate high-fidelity synthetic tabular data of comparable quality to that generated by centralized GAN algorithm. The difference on machine learning utility can be as low as to 2.7%, even under extremely imbalanced data distributions across clients and different number of clients.  ( 2 min )

In this work, besides improving prediction accuracy, we study whether personalization could bring robustness benefits to backdoor attacks. We conduct the first study of backdoor attacks in the pFL framework, testing 4 widely used backdoor attacks against 6 pFL methods on benchmark datasets FEMNIST and CIFAR-10, a total of 600 experiments. The study shows that pFL methods with partial model-sharing can significantly boost robustness against backdoor attacks. In contrast, pFL methods with full model-sharing do not show robustness. To analyze the reasons for varying robustness performances, we provide comprehensive ablation studies on different pFL methods. Based on our findings, we further propose a lightweight defense method, Simple-Tuning, which empirically improves defense performance against backdoor attacks. We believe that our work could provide both guidance for pFL application in terms of its robustness and offer valuable insights to design more robust FL methods in the future.  ( 2 min )

Artificial intelligence (AI) models are increasingly used in the medical domain. However, as medical data is highly sensitive, special precautions to ensure the protection of said data are required. The gold standard for privacy preservation is the introduction of differential privacy (DP) to model training. However, prior work has shown that DP has negative implications on model accuracy and fairness. Therefore, the purpose of this study is to demonstrate that the privacy-preserving training of AI models for chest radiograph diagnosis is possible with high accuracy and fairness compared to non-private training. N=193,311 high quality clinical chest radiographs were retrospectively collected and manually labeled by experienced radiologists, who assigned one or more of the following diagnoses: cardiomegaly, congestion, pleural effusion, pneumonic infiltration and atelectasis, to each side (where applicable). The non-private AI models were compared with privacy-preserving (DP) models with respect to privacy-utility trade-offs (measured as area under the receiver-operator-characteristic curve (AUROC)), and privacy-fairness trade-offs (measured as Pearson-R or Statistical Parity Difference). The non-private AI model achieved an average AUROC score of 0.90 over all labels, whereas the DP AI model with a privacy budget of epsilon=7.89 resulted in an AUROC of 0.87, i.e., a mere 2.6% performance decrease compared to non-private training. The privacy-preserving training of diagnostic AI models can achieve high performance with a small penalty on model accuracy and does not amplify discrimination against age, sex or co-morbidity. We thus encourage practitioners to integrate state-of-the-art privacy-preserving techniques into medical AI model development.  ( 2 min )

Driver stress is a major cause of car accidents and death worldwide. Furthermore, persistent stress is a health problem, contributing to hypertension and other diseases of the cardiovascular system. Stress has a measurable impact on heart and breathing rates and stress levels can be inferred from such measurements. Galvanic skin response is a common test to measure the perspiration caused by both physiological and psychological stress, as well as extreme emotions. In this paper, galvanic skin response is used to estimate the ground truth stress levels. A feature selection technique based on the minimal redundancy-maximal relevance method is then applied to multiple heart rate variability and breathing rate metrics to identify a novel and optimal combination for use in detecting stress. The support vector machine algorithm with a radial basis function kernel was used along with these features to reliably predict stress. The proposed method has achieved a high level of accuracy on the target dataset.  ( 2 min )

Split Learning (SL) is one promising variant of Federated Learning (FL), where the AI model is split and trained at the clients and the server collaboratively. By offloading the computation-intensive portions to the server, SL enables efficient model training on resource-constrained clients. Despite its booming applications, SL still lacks rigorous convergence analysis on non-IID data, which is critical for hyperparameter selection. In this paper, we first prove that SL exhibits an $\mathcal{O}(1/\sqrt{R})$ convergence rate for non-convex objectives on non-IID data, where $R$ is the number of total training rounds. The derived convergence results can facilitate understanding the effect of some crucial factors in SL (e.g., data heterogeneity and synchronization interval). Furthermore, comparing with the convergence result of FL, we show that the guarantee of SL is worse than FL in terms of training rounds on non-IID data. The experimental results verify our theory. More findings on the comparison between FL and SL in cross-device settings are also reported.  ( 2 min )

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).  ( 2 min )

In real industrial processes, fault diagnosis methods are required to learn from limited fault samples since the procedures are mainly under normal conditions and the faults rarely occur. Although attention mechanisms have become popular in the field of fault diagnosis, the existing attention-based methods are still unsatisfying for the above practical applications. First, pure attention-based architectures like transformers need a large number of fault samples to offset the lack of inductive biases thus performing poorly under limited fault samples. Moreover, the poor fault classification dilemma further leads to the failure of the existing attention-based methods to identify the root causes. To address the aforementioned issues, we innovatively propose a supervised contrastive convolutional attention mechanism (SCCAM) with ante-hoc interpretability, which solves the root cause analysis problem under limited fault samples for the first time. The proposed SCCAM method is tested on a continuous stirred tank heater and the Tennessee Eastman industrial process benchmark. Three common fault diagnosis scenarios are covered, including a balanced scenario for additional verification and two scenarios with limited fault samples (i.e., imbalanced scenario and long-tail scenario). The comprehensive results demonstrate that the proposed SCCAM method can achieve better performance compared with the state-of-the-art methods on fault classification and root cause analysis.  ( 2 min )

The identification of co-regulated genes and their transcription-factor binding sites (TFBS) are the key steps toward understanding transcription regulation. In addition to effective laboratory assays, various bi-clustering algorithms for detection of the co-expressed genes have been developed. Bi-clustering methods are used to discover subgroups of genes with similar expression patterns under to-be-identified subsets of experimental conditions when applied to gene expression data. By building two fuzzy partition matrices of the gene expression data with the Axiomatic Fuzzy Set (AFS) theory, this paper proposes a novel fuzzy bi-clustering algorithm for identification of co-regulated genes. Specifically, the gene expression data is transformed into two fuzzy partition matrices via sub-preference relations theory of AFS at first. One of the matrices is considering the genes as the universe and the conditions as the concept, the other one is considering the genes as the concept and the conditions as the universe. The identification of the co-regulated genes (bi-clusters) is carried out on the two partition matrices at the same time. Then, a novel fuzzy-based similarity criterion is defined based on the partition matrixes, and a cyclic optimization algorithm is designed to discover the significant bi-clusters at expression level. The above procedures guarantee that the generated bi-clusters have more significant expression values than that of extracted by the traditional bi-clustering methods. Finally, the performance of the proposed method is evaluated with the performance of the three well-known bi-clustering algorithms on publicly available real microarray datasets. The experimental results are in agreement with the theoretical analysis and show that the proposed algorithm can effectively detect the co-regulated genes without any prior knowledge of the gene expression data.  ( 2 min )

A complex system with cluttered observations may be a coupled mixture of multiple simple sub-systems corresponding to latent entities. Such sub-systems may hold distinct dynamics in the continuous-time domain; therein, complicated interactions between sub-systems also evolve over time. This setting is fairly common in the real world but has been less considered. In this paper, we propose a sequential learning approach under this setting by decoupling a complex system for handling irregularly sampled and cluttered sequential observations. Such decoupling brings about not only subsystems describing the dynamics of each latent entity but also a meta-system capturing the interaction between entities over time. Specifically, we argue that the meta-system evolving within a simplex is governed by projected differential equations (ProjDEs). We further analyze and provide neural-friendly projection operators in the context of Bregman divergence. Experimental results on synthetic and real-world datasets show the advantages of our approach when facing complex and cluttered sequential data compared to the state-of-the-art.  ( 2 min )

Development of autonomous cyber system defense strategies and action recommendations in the real-world is challenging, and includes characterizing system state uncertainties and attack-defense dynamics. We propose a data-driven deep reinforcement learning (DRL) framework to learn proactive, context-aware, defense countermeasures that dynamically adapt to evolving adversarial behaviors while minimizing loss of cyber system operations. A dynamic defense optimization problem is formulated with multiple protective postures against different types of adversaries with varying levels of skill and persistence. A custom simulation environment was developed and experiments were devised to systematically evaluate the performance of four model-free DRL algorithms against realistic, multi-stage attack sequences. Our results suggest the efficacy of DRL algorithms for proactive cyber defense under multi-stage attack profiles and system uncertainties.  ( 2 min )

Current state-of-the-art deep networks are all powered by backpropagation. In this paper, we explore alternatives to full backpropagation in the form of blockwise learning rules, leveraging the latest developments in self-supervised learning. We show that a blockwise pretraining procedure consisting of training independently the 4 main blocks of layers of a ResNet-50 with Barlow Twins' loss function at each block performs almost as well as end-to-end backpropagation on ImageNet: a linear probe trained on top of our blockwise pretrained model obtains a top-1 classification accuracy of 70.48%, only 1.1% below the accuracy of an end-to-end pretrained network (71.57% accuracy). We perform extensive experiments to understand the impact of different components within our method and explore a variety of adaptations of self-supervised learning to the blockwise paradigm, building an exhaustive understanding of the critical avenues for scaling local learning rules to large networks, with implications ranging from hardware design to neuroscience.  ( 2 min )

As AI-based decision systems proliferate, their successful operationalization requires balancing multiple desiderata: predictive performance, disparity across groups, safeguarding sensitive group attributes (e.g., race), and engineering cost. We present a holistic framework for evaluating and contextualizing fairness interventions with respect to the above desiderata. The two key points of practical consideration are where (pre-, in-, post-processing) and how (in what way the sensitive group data is used) the intervention is introduced. We demonstrate our framework using a thorough benchmarking study on predictive parity; we study close to 400 methodological variations across two major model types (XGBoost vs. Neural Net) and ten datasets. Methodological insights derived from our empirical study inform the practical design of ML workflow with fairness as a central concern. We find predictive parity is difficult to achieve without using group data, and despite requiring group data during model training (but not inference), distributionally robust methods provide significant Pareto improvement. Moreover, a plain XGBoost model often Pareto-dominates neural networks with fairness interventions, highlighting the importance of model inductive bias.  ( 2 min )

The impressive generalization performance of modern neural networks is attributed in part to their ability to implicitly memorize complex training patterns. Inspired by this, we explore a novel mechanism to improve model generalization via explicit memorization. Specifically, we propose the residual-memorization (ResMem) algorithm, a new method that augments an existing prediction model (e.g. a neural network) by fitting the model's residuals with a $k$-nearest neighbor based regressor. The final prediction is then the sum of the original model and the fitted residual regressor. By construction, ResMem can explicitly memorize the training labels. Empirically, we show that ResMem consistently improves the test set generalization of the original prediction model across various standard vision and natural language processing benchmarks. Theoretically, we formulate a stylized linear regression problem and rigorously show that ResMem results in a more favorable test risk over the base predictor.  ( 2 min )

Conventional clustering methods based on pairwise affinity usually suffer from the concentration effect while processing huge dimensional features yet low sample sizes data, resulting in inaccuracy to encode the sample proximity and suboptimal performance in clustering. To address this issue, we propose a unified tensor clustering method (UTC) that characterizes sample proximity using multiple samples' affinity, thereby supplementing rich spatial sample distributions to boost clustering. Specifically, we find that the triadic tensor affinity can be constructed via the Khari-Rao product of two affinity matrices. Furthermore, our early work shows that the fourth-order tensor affinity is defined by the Kronecker product. Therefore, we utilize arithmetical products, Khatri-Rao and Kronecker products, to mathematically integrate different orders of affinity into a unified tensor clustering framework. Thus, the UTC jointly learns a joint low-dimensional embedding to combine various orders. Finally, a numerical scheme is designed to solve the problem. Experiments on synthetic datasets and real-world datasets demonstrate that 1) the usage of high-order tensor affinity could provide a supplementary characterization of sample proximity to the popular affinity matrix; 2) the proposed method of UTC is affirmed to enhance clustering by exploiting different order affinities when processing high-dimensional data.  ( 2 min )

As deep neural networks (DNNs) prove their importance and feasibility, more and more DNN-based apps, such as detection and classification of objects, have been developed and deployed on autonomous vehicles (AVs). To meet their growing expectations and requirements, AVs should "optimize" use of their limited onboard computing resources for multiple concurrent in-vehicle apps while satisfying their timing requirements (especially for safety). That is, real-time AV apps should share the limited on-board resources with other concurrent apps without missing their deadlines dictated by the frame rate of a camera that generates and provides input images to the apps. However, most, if not all, of existing DNN solutions focus on enhancing the concurrency of their specific hardware without dynamically optimizing/modifying the DNN apps' resource requirements, subject to the number of running apps, owing to their high computational cost. To mitigate this limitation, we propose DynaMIX (Dynamic MIXed-precision model construction), which optimizes the resource requirement of concurrent apps and aims to maximize execution accuracy. To realize a real-time resource optimization, we formulate an optimization problem using app performance profiles to consider both the accuracy and worst-case latency of each app. We also propose dynamic model reconfiguration by lazy loading only the selected layers at runtime to reduce the overhead of loading the entire model. DynaMIX is evaluated in terms of constraint satisfaction and inference accuracy for a multi-tasking system and compared against state-of-the-art solutions, demonstrating its effectiveness and feasibility under various environmental/operating conditions.  ( 2 min )

Despite the great interest in the bandit problem, designing efficient algorithms for complex models remains challenging, as there is typically no analytical way to quantify uncertainty. In this paper, we propose Multiplier Bootstrap-based Exploration (MBE), a novel exploration strategy that is applicable to any reward model amenable to weighted loss minimization. We prove both instance-dependent and instance-independent rate-optimal regret bounds for MBE in sub-Gaussian multi-armed bandits. With extensive simulation and real data experiments, we show the generality and adaptivity of MBE.  ( 2 min )

We present a method of explainable artificial intelligence (XAI), "What I Know (WIK)", to provide additional information to verify the reliability of a deep learning model by showing an example of an instance in a training dataset that is similar to the input data to be inferred and demonstrate it in a remote sensing image classification task. One of the expected roles of XAI methods is verifying whether inferences of a trained machine learning model are valid for an application, and it is an important factor that what datasets are used for training the model as well as the model architecture. Our data-centric approach can help determine whether the training dataset is sufficient for each inference by checking the selected example data. If the selected example looks similar to the input data, we can confirm that the model was not trained on a dataset with a feature distribution far from the feature of the input data. With this method, the criteria for selecting an example are not merely data similarity with the input data but also data similarity in the context of the model task. Using a remote sensing image dataset from the Sentinel-2 satellite, the concept was successfully demonstrated with reasonably selected examples. This method can be applied to various machine-learning tasks, including classification and regression.  ( 2 min )

The principle of minimum potential and complementary energy are the most important variational principles in solid mechanics. The deep energy method (DEM), which has received much attention, is based on the principle of minimum potential energy and lacks the important form of minimum complementary energy. Thus, we propose the deep energy method based on the principle of minimum complementary energy (DCM). The output function of DCM is the stress function that naturally satisfies the equilibrium equation. We extend the proposed DCM algorithm (DCM-P), adding the terms that naturally satisfy the biharmonic equation in the Airy stress function. We combine operator learning with physical equations and propose a deep complementary energy operator method (DCM-O), including branch net, trunk net, basis net, and particular net. DCM-O first combines existing high-fidelity numerical results to train DCM-O through data. Then the complementary energy is used to train the branch net and trunk net in DCM-O. To analyze DCM performance, we present the numerical result of the most common stress functions, the Prandtl and Airy stress function. The proposed method DCM is used to model the representative mechanical problems with the different types of boundary conditions. We compare DCM with the existing PINNs and DEM algorithms. The result shows the advantage of the proposed DCM is suitable for dealing with problems of dominated displacement boundary conditions, which is reflected in theory and our numerical experiments. DCM-P and DCM-O improve the accuracy of DCM and the speed of calculation convergence. DCM is an essential supplementary energy form of the deep energy method. We believe that operator learning based on the energy method can balance data and physical equations well, giving computational mechanics broad research prospects.  ( 2 min )

Multi-resolution hash encoding has recently been proposed to reduce the computational cost of neural renderings, such as NeRF. This method requires accurate camera poses for the neural renderings of given scenes. However, contrary to previous methods jointly optimizing camera poses and 3D scenes, the naive gradient-based camera pose refinement method using multi-resolution hash encoding severely deteriorates performance. We propose a joint optimization algorithm to calibrate the camera pose and learn a geometric representation using efficient multi-resolution hash encoding. Showing that the oscillating gradient flows of hash encoding interfere with the registration of camera poses, our method addresses the issue by utilizing smooth interpolation weighting to stabilize the gradient oscillation for the ray samplings across hash grids. Moreover, the curriculum training procedure helps to learn the level-wise hash encoding, further increasing the pose refinement. Experiments on the novel-view synthesis datasets validate that our learning frameworks achieve state-of-the-art performance and rapid convergence of neural rendering, even when initial camera poses are unknown.  ( 2 min )

This paper describes the development of an on-board data-driven system that can monitor and localize the fault in a quadrotor unmanned aerial vehicle (UAV) and at the same time, evaluate the degree of damage of the fault under real scenarios. To achieve offline training data generation, a hybrid approach is proposed for the development of a virtual data-generative model using a combination of data-driven models as well as well-established dynamic models that describe the kinematics of the UAV. To effectively represent the drop in performance of a faulty propeller, a variation of the deep neural network, a LSTM network is proposed. With the RPM of the propeller as input and based on the fault condition of the propeller, the proposed propeller model estimates the resultant torque and thrust. Then, flight datasets of the UAV under various fault scenarios are generated via simulation using the developed data-generative model. Lastly, a fault classifier using a CNN model is proposed to identify as well as evaluate the degree of damage to the damaged propeller. The scope of this paper focuses on the identification of faulty propellers and classification of the fault level for quadrotor UAVs using RPM as well as flight data. Doing so allows for early minor fault detection to prevent serious faults from occurring if the fault is left unrepaired. To further validate the workability of this approach outside of simulation, a real-flight test is conducted indoors. The real flight data is collected and a simulation to real sim-real test is conducted. Due to the imperfections in the build of our experimental UAV, a slight calibration approach to our simulation model is further proposed and the experimental results obtained show that our trained model can identify the location of propeller fault as well as the degree/type of damage. Currently, the diagnosis accuracy on the testing set is over 80%.  ( 3 min )

Reliability is one of the major design criteria in Cyber-Physical Systems (CPSs). This is because of the existence of some critical applications in CPSs and their failure is catastrophic. Therefore, employing strong error detection and correction mechanisms in CPSs is inevitable. CPSs are composed of a variety of units, including sensors, networks, and microcontrollers. Each of these units is probable to be in a faulty state at any time and the occurred fault can result in erroneous output. The fault may cause the units of CPS to malfunction and eventually crash. Traditional fault-tolerant approaches include redundancy time, hardware, information, and/or software. However, these approaches impose significant overheads besides their low error coverage, which limits their applicability. In addition, the interval between error occurrence and detection is too long in these approaches. In this paper, based on Deep Reinforcement Learning (DRL), a new error detection approach is proposed that not only detects errors with high accuracy but also can perform error detection at the moment due to very low inference time. The proposed approach can categorize different types of errors from normal data and predict whether the system will fail. The evaluation results illustrate that the proposed approach has improved more than 2x in terms of accuracy and more than 5x in terms of inference time compared to other approaches.  ( 2 min )

Most graph neural networks follow the message passing mechanism. However, it faces the over-smoothing problem when multiple times of message passing is applied to a graph, causing indistinguishable node representations and prevents the model to effectively learn dependencies between farther-away nodes. On the other hand, features of neighboring nodes with different labels are likely to be falsely mixed, resulting in the heterophily problem. In this work, we propose to order the messages passing into the node representation, with specific blocks of neurons targeted for message passing within specific hops. This is achieved by aligning the hierarchy of the rooted-tree of a central node with the ordered neurons in its node representation. Experimental results on an extensive set of datasets show that our model can simultaneously achieve the state-of-the-art in both homophily and heterophily settings, without any targeted design. Moreover, its performance maintains pretty well while the model becomes really deep, effectively preventing the over-smoothing problem. Finally, visualizing the gating vectors shows that our model learns to behave differently between homophily and heterophily settings, providing an explainable graph neural model.  ( 2 min )

In this manuscript (ms), we propose causal inference based single-branch ensemble trees for uplift modeling, namely CIET. Different from standard classification methods for predictive probability modeling, CIET aims to achieve the change in the predictive probability of outcome caused by an action or a treatment. According to our CIET, two partition criteria are specifically designed to maximize the difference in outcome distribution between the treatment and control groups. Next, a novel single-branch tree is built by taking a top-down node partition approach, and the remaining samples are censored since they are not covered by the upper node partition logic. Repeating the tree-building process on the censored data, single-branch ensemble trees with a set of inference rules are thus formed. Moreover, CIET is experimentally demonstrated to outperform previous approaches for uplift modeling in terms of both area under uplift curve (AUUC) and Qini coefficient significantly. At present, CIET has already been applied to online personal loans in a national financial holdings group in China. CIET will also be of use to analysts applying machine learning techniques to causal inference in broader business domains such as web advertising, medicine and economics.  ( 2 min )

Maximizing a submodular function has a wide range of applications in machine learning and data mining. One such application is data summarization whose goal is to select a small set of representative and diverse data items from a large dataset. However, data items might have sensitive attributes such as race or gender, in this setting, it is important to design \emph{fairness-aware} algorithms to mitigate potential algorithmic bias that may cause over- or under- representation of particular groups. Motivated by that, we propose and study the classic non-monotone submodular maximization problem subject to novel group fairness constraints. Our goal is to select a set of items that maximizes a non-monotone submodular function, while ensuring that the number of selected items from each group is proportionate to its size, to the extent specified by the decision maker. We develop the first constant-factor approximation algorithms for this problem. We also extend the basic model to incorporate an additional global size constraint on the total number of selected items.  ( 2 min )

In the stochastic multi-armed bandit problem, a randomized probability matching policy called Thompson sampling (TS) has shown excellent performance in various reward models. In addition to the empirical performance, TS has been shown to achieve asymptotic problem-dependent lower bounds in several models. However, its optimality has been mainly addressed under light-tailed or one-parameter models that belong to exponential families. In this paper, we consider the optimality of TS for the Pareto model that has a heavy tail and is parameterized by two unknown parameters. Specifically, we discuss the optimality of TS with probability matching priors that include the Jeffreys prior and the reference priors. We first prove that TS with certain probability matching priors can achieve the optimal regret bound. Then, we show the suboptimality of TS with other priors, including the Jeffreys and the reference priors. Nevertheless, we find that TS with the Jeffreys and reference priors can achieve the asymptotic lower bound if one uses a truncation procedure. These results suggest carefully choosing noninformative priors to avoid suboptimality and show the effectiveness of truncation procedures in TS-based policies.  ( 2 min )

Federated learning (FL) is the most popular distributed machine learning technique. FL allows machine-learning models to be trained without acquiring raw data to a single point for processing. Instead, local models are trained with local data; the models are then shared and combined. This approach preserves data privacy as locally trained models are shared instead of the raw data themselves. Broadly, FL can be divided into horizontal federated learning (HFL) and vertical federated learning (VFL). For the former, different parties hold different samples over the same set of features; for the latter, different parties hold different feature data belonging to the same set of samples. In a number of practical scenarios, VFL is more relevant than HFL as different companies (e.g., bank and retailer) hold different features (e.g., credit history and shopping history) for the same set of customers. Although VFL is an emerging area of research, it is not well-established compared to HFL. Besides, VFL-related studies are dispersed, and their connections are not intuitive. Thus, this survey aims to bring these VFL-related studies to one place. Firstly, we classify existing VFL structures and algorithms. Secondly, we present the threats from security and privacy perspectives to VFL. Thirdly, for the benefit of future researchers, we discussed the challenges and prospects of VFL in detail.  ( 2 min )

Knowledge distillation (KD) is a highly promising method for mitigating the computational problems of pre-trained language models (PLMs). Among various KD approaches, Intermediate Layer Distillation (ILD) has been a de facto standard KD method with its performance efficacy in the NLP field. In this paper, we find that existing ILD methods are prone to overfitting to training datasets, although these methods transfer more information than the original KD. Next, we present the simple observations to mitigate the overfitting of ILD: distilling only the last Transformer layer and conducting ILD on supplementary tasks. Based on our two findings, we propose a simple yet effective consistency-regularized ILD (CR-ILD), which prevents the student model from overfitting the training dataset. Substantial experiments on distilling BERT on the GLUE benchmark and several synthetic datasets demonstrate that our proposed ILD method outperforms other KD techniques. Our code is available at https://github.com/jongwooko/CR-ILD.  ( 2 min )

To identify patients who are hospitalized because of COVID-19 as opposed to those who were admitted for other indications, we compared the performance of different computable phenotype definitions for COVID-19 hospitalizations that use different types of data from the electronic health records (EHR), including structured EHR data elements, provider notes, or a combination of both data types. And conduct a retrospective data analysis utilizing chart review-based validation. Participants are 586 hospitalized individuals who tested positive for SARS-CoV-2 during January 2022. We used natural language processing to incorporate data from provider notes and LASSO regression and Random Forests to fit classification algorithms that incorporated structured EHR data elements, provider notes, or a combination of structured data and provider notes. Results: Based on a chart review, 38% of 586 patients were determined to be hospitalized for reasons other than COVID-19 despite having tested positive for SARS-CoV-2. A classification algorithm that used provider notes had significantly better discrimination than one that used structured EHR data elements (AUROC: 0.894 vs 0.841, p < 0.001), and performed similarly to a model that combined provider notes with structured data elements (AUROC: 0.894 vs 0.893). Assessments of hospital outcome metrics significantly differed based on whether the population included all hospitalized patients who tested positive for SARS-CoV-2 versus those who were determined to have been hospitalized due to COVID-19. This work demonstrates the utility of natural language processing approaches to derive information related to patient hospitalizations in cases where there may be multiple conditions that could serve as the primary indication for hospitalization.  ( 3 min )

In digital online advertising, advertisers procure ad impressions simultaneously on multiple platforms, or so-called channels, such as Google Ads, Meta Ads Manager, etc., each of which consists of numerous ad auctions. We study how an advertiser maximizes total conversion (e.g. ad clicks) while satisfying aggregate return-on-investment (ROI) and budget constraints across all channels. In practice, an advertiser does not have control over, and thus cannot globally optimize, which individual ad auctions she participates in for each channel, and instead authorizes a channel to procure impressions on her behalf: the advertiser can only utilize two levers on each channel, namely setting a per-channel budget and per-channel target ROI. In this work, we first analyze the effectiveness of each of these levers for solving the advertiser's global multi-channel problem. We show that when an advertiser only optimizes over per-channel ROIs, her total conversion can be arbitrarily worse than what she could have obtained in the global problem. Further, we show that the advertiser can achieve the global optimal conversion when she only optimizes over per-channel budgets. In light of this finding, under a bandit feedback setting that mimics real-world scenarios where advertisers have limited information on ad auctions in each channels and how channels procure ads, we present an efficient learning algorithm that produces per-channel budgets whose resulting conversion approximates that of the global optimal problem. Finally, we argue that all our results hold for both single-item and multi-item auctions from which channels procure impressions on advertisers' behalf.  ( 2 min )

Blackwell's celebrated approachability theory provides a general framework for a variety of learning problems, including regret minimization. However, Blackwell's proof and implicit algorithm measure approachability using the $\ell_2$ (Euclidean) distance. We argue that in many applications such as regret minimization, it is more useful to study approachability under other distance metrics, most commonly the $\ell_\infty$-metric. But, the time and space complexity of the algorithms designed for $\ell_\infty$-approachability depend on the dimension of the space of the vectorial payoffs, which is often prohibitively large. Thus, we present a framework for converting high-dimensional $\ell_\infty$-approachability problems to low-dimensional pseudonorm approachability problems, thereby resolving such issues. We first show that the $\ell_\infty$-distance between the average payoff and the approachability set can be equivalently defined as a pseudodistance between a lower-dimensional average vector payoff and a new convex set we define. Next, we develop an algorithmic theory of pseudonorm approachability, analogous to previous work on approachability for $\ell_2$ and other norms, showing that it can be achieved via online linear optimization (OLO) over a convex set given by the Fenchel dual of the unit pseudonorm ball. We then use that to show, modulo mild normalization assumptions, that there exists an $\ell_\infty$-approachability algorithm whose convergence is independent of the dimension of the original vectorial payoff. We further show that that algorithm admits a polynomial-time complexity, assuming that the original $\ell_\infty$-distance can be computed efficiently. We also give an $\ell_\infty$-approachability algorithm whose convergence is logarithmic in that dimension using an FTRL algorithm with a maximum-entropy regularizer.  ( 2 min )

Most if not all on-line item-to-item recommendation systems rely on estimation of a distance like measure (rank) of similarity between items. For on-line recommendation systems, time sensitivity of this similarity measure is extremely important. We observe that recommendation "recency" can be straightforwardly and transparently maintained by iterative reduction of ranks of inactive items. The paper briefly summarizes algorithmic developments based on this self-explanatory observation. The basic idea behind this work is patented in a context of online recommendation systems.  ( 2 min )

Gaussian process upper confidence bound (GP-UCB) is a theoretically promising approach for black-box optimization; however, the confidence parameter $\beta$ is considerably large in the theorem and chosen heuristically in practice. Then, randomized GP-UCB (RGP-UCB) uses a randomized confidence parameter, which follows the Gamma distribution, to mitigate the impact of manually specifying $\beta$. This study first generalizes the regret analysis of RGP-UCB to a wider class of distributions, including the Gamma distribution. Furthermore, we propose improved RGP-UCB (IRGP-UCB) based on a two-parameter exponential distribution, which achieves tight Bayesian regret bounds. IRGP-UCB does not require an increase in the confidence parameter in terms of the number of iterations, which avoids over-exploration in the later iterations. Finally, we demonstrate the effectiveness of IRGP-UCB through extensive experiments.  ( 2 min )

One of the most critical problems in machine learning is HyperParameter Optimization (HPO), since choice of hyperparameters has a significant impact on final model performance. Although there are many HPO algorithms, they either have no theoretical guarantees or require strong assumptions. To this end, we introduce BLiE -- a Lipschitz-bandit-based algorithm for HPO that only assumes Lipschitz continuity of the objective function. BLiE exploits the landscape of the objective function to adaptively search over the hyperparameter space. Theoretically, we show that $(i)$ BLiE finds an $\epsilon$-optimal hyperparameter with $O \left( \frac{1}{\epsilon} \right)^{d_z + \beta}$ total budgets, where $d_z$ and $\beta$ are problem intrinsic; $(ii)$ BLiE is highly parallelizable. Empirically, we demonstrate that BLiE outperforms the state-of-the-art HPO algorithms on benchmark tasks. We also apply BLiE to search for noise schedule of diffusion models. Comparison with the default schedule shows that BLiE schedule greatly improves the sampling speed.  ( 2 min )

We analyze a practical algorithm for sparse PCA on incomplete and noisy data under a general non-random sampling scheme. The algorithm is based on a semidefinite relaxation of the $\ell_1$-regularized PCA problem. We provide theoretical justification that under certain conditions, we can recover the support of the sparse leading eigenvector with high probability by obtaining a unique solution. The conditions involve the spectral gap between the largest and second-largest eigenvalues of the true data matrix, the magnitude of the noise, and the structural properties of the observed entries. The concepts of algebraic connectivity and irregularity are used to describe the structural properties of the observed entries. We empirically justify our theorem with synthetic and real data analysis. We also show that our algorithm outperforms several other sparse PCA approaches especially when the observed entries have good structural properties. As a by-product of our analysis, we provide two theorems to handle a deterministic sampling scheme, which can be applied to other matrix-related problems.  ( 2 min )

As the amount of text data generated by humans and machines increases, the necessity of understanding large corpora and finding a way to extract insights from them is becoming more crucial than ever. Dynamic topic models are effective methods that primarily focus on studying the evolution of topics present in a collection of documents. These models are widely used for understanding trends, exploring public opinion in social networks, or tracking research progress and discoveries in scientific archives. Since topics are defined as clusters of semantically similar documents, it is necessary to observe the changes in the content or themes of these clusters in order to understand how topics evolve as new knowledge is discovered over time. In this paper, we introduce the Aligned Neural Topic Model (ANTM), a dynamic neural topic model that uses document embeddings to compute clusters of semantically similar documents at different periods and to align document clusters to represent their evolution. This alignment procedure preserves the temporal similarity of document clusters over time and captures the semantic change of words characterized by their context within different periods. Experiments on four different datasets show that ANTM outperforms probabilistic dynamic topic models (e.g. DTM, DETM) and significantly improves topic coherence and diversity over other existing dynamic neural topic models (e.g. BERTopic).  ( 2 min )

We present a novel loss formulation for efficient learning of complex dynamics from governing physics, typically described by partial differential equations (PDEs), using physics-informed neural networks (PINNs). In our experiments, existing versions of PINNs are seen to learn poorly in many problems, especially for complex geometries, as it becomes increasingly difficult to establish appropriate sampling strategy at the near boundary region. Overly dense sampling can adversely impede training convergence if the local gradient behaviors are too complex to be adequately modelled by PINNs. On the other hand, if the samples are too sparse, existing PINNs tend to overfit the near boundary region, leading to incorrect solution. To prevent such issues, we propose a new Boundary Connectivity (BCXN) loss function which provides linear local structure approximation (LSA) to the gradient behaviors at the boundary for PINN. Our BCXN-loss implicitly imposes local structure during training, thus facilitating fast physics-informed learning across entire problem domains with order of magnitude sparser training samples. This LSA-PINN method shows a few orders of magnitude smaller errors than existing methods in terms of the standard L2-norm metric, while using dramatically fewer training samples and iterations. Our proposed LSA-PINN does not pose any requirement on the differentiable property of the networks, and we demonstrate its benefits and ease of implementation on both multi-layer perceptron and convolutional neural network versions as commonly used in current PINN literature.  ( 2 min )

Modern machine learning techniques have been extensively applied to materials science, especially for property prediction tasks. A majority of these methods address scalar property predictions, while more challenging spectral properties remain less emphasized. We formulate a crystal-to-sequence learning task and propose a novel attention-based learning method, Xtal2DoS, which decodes the sequential representation of the material density of states (DoS) properties by incorporating the learned atomic embeddings through attention networks. Experiments show Xtal2DoS is faster than the existing models, and consistently outperforms other state-of-the-art methods on four metrics for two fundamental spectral properties, phonon and electronic DoS.  ( 2 min )

The Metaverse is emerging as maturing technologies are empowering the different facets. Virtual Reality (VR) technologies serve as the backbone of the virtual universe within the Metaverse to offer a highly immersive user experience. As mobility is emphasized in the Metaverse context, VR devices reduce their weights at the sacrifice of local computation abilities. In this paper, for a system consisting of a Metaverse server and multiple VR users, we consider two cases of (i) the server generating frames and transmitting them to users, and (ii) users generating frames locally and thus consuming device energy. Moreover, in our multi-user VR scenario for the Metaverse, users have different characteristics and demands for Frames Per Second (FPS). Then the channel access arrangement (including the decisions on frame generation location), and transmission powers for the downlink communications from the server to the users are jointly optimized to improve the utilities of users. This joint optimization is addressed by deep reinforcement learning (DRL) with heterogeneous actions. Our proposed user-centric DRL algorithm is called User-centric Critic with Heterogenous Actors (UCHA). Extensive experiments demonstrate that our UCHA algorithm leads to remarkable results under various requirements and constraints.  ( 2 min )

In recent years, recommender systems have advanced rapidly, where embedding learning for users and items plays a critical role. A standard method learns a unique embedding vector for each user and item. However, such a method has two important limitations in real-world applications: 1) it is hard to learn embeddings that generalize well for users and items with rare interactions on their own; and 2) it may incur unbearably high memory costs when the number of users and items scales up. Existing approaches either can only address one of the limitations or have flawed overall performances. In this paper, we propose Clustered Embedding Learning (CEL) as an integrated solution to these two problems. CEL is a plug-and-play embedding learning framework that can be combined with any differentiable feature interaction model. It is capable of achieving improved performance, especially for cold users and items, with reduced memory cost. CEL enables automatic and dynamic clustering of users and items in a top-down fashion, where clustered entities jointly learn a shared embedding. The accelerated version of CEL has an optimal time complexity, which supports efficient online updates. Theoretically, we prove the identifiability and the existence of a unique optimal number of clusters for CEL in the context of nonnegative matrix factorization. Empirically, we validate the effectiveness of CEL on three public datasets and one business dataset, showing its consistently superior performance against current state-of-the-art methods. In particular, when incorporating CEL into the business model, it brings an improvement of $+0.6\%$ in AUC, which translates into a significant revenue gain; meanwhile, the size of the embedding table gets $2650$ times smaller.  ( 2 min )

In recent years, by leveraging more data, computation, and diverse tasks, learned optimizers have achieved remarkable success in supervised learning optimization, outperforming classical hand-designed optimizers. However, in practice, these learned optimizers fail to generalize to reinforcement learning tasks due to unstable and complex loss landscapes. Moreover, neither hand-designed optimizers nor learned optimizers have been specifically designed to address the unique optimization properties in reinforcement learning. In this work, we take a data-driven approach to learn to optimize for reinforcement learning using meta-learning. We introduce a novel optimizer structure that significantly improves the training efficiency of learned optimizers, making it possible to learn an optimizer for reinforcement learning from scratch. Although trained in toy tasks, our learned optimizer demonstrates its generalization ability to unseen complex tasks. Finally, we design a set of small gridworlds to train the first general-purpose optimizer for reinforcement learning.  ( 2 min )

We study preferential Bayesian optimization (BO) where reliable feedback is limited to pairwise comparison called duels. An important challenge in preferential BO, which uses the preferential Gaussian process (GP) model to represent flexible preference structure, is that the posterior distribution is a computationally intractable skew GP. The most widely used approach for preferential BO is Gaussian approximation, which ignores the skewness of the true posterior. Alternatively, Markov chain Monte Carlo (MCMC) based preferential BO is also proposed. In this work, we first verify the accuracy of Gaussian approximation, from which we reveal the critical problem that the predictive probability of duels can be inaccurate. This observation motivates us to improve the MCMC-based estimation for skew GP, for which we show the practical efficiency of Gibbs sampling and derive the low variance MC estimator. However, the computational time of MCMC can still be a bottleneck in practice. Towards building a more practical preferential BO, we develop a new method that achieves both high computational efficiency and low sample complexity, and then demonstrate its effectiveness through extensive numerical experiments.  ( 2 min )

Automation of test oracles is one of the most challenging facets of software testing, but remains comparatively less addressed compared to automated test input generation. Test oracles rely on a ground-truth that can distinguish between the correct and buggy behavior to determine whether a test fails (detects a bug) or passes. What makes the oracle problem challenging and undecidable is the assumption that the ground-truth should know the exact expected, correct, or buggy behavior. However, we argue that one can still build an accurate oracle without knowing the exact correct or buggy behavior, but how these two might differ. This paper presents SEER, a learning-based approach that in the absence of test assertions or other types of oracle, can determine whether a unit test passes or fails on a given method under test (MUT). To build the ground-truth, SEER jointly embeds unit tests and the implementation of MUTs into a unified vector space, in such a way that the neural representation of tests are similar to that of MUTs they pass on them, but dissimilar to MUTs they fail on them. The classifier built on top of this vector representation serves as the oracle to generate "fail" labels, when test inputs detect a bug in MUT or "pass" labels, otherwise. Our extensive experiments on applying SEER to more than 5K unit tests from a diverse set of open-source Java projects show that the produced oracle is (1) effective in predicting the fail or pass labels, achieving an overall accuracy, precision, recall, and F1 measure of 93%, 86%, 94%, and 90%, (2) generalizable, predicting the labels for the unit test of projects that were not in training or validation set with negligible performance drop, and (3) efficient, detecting the existence of bugs in only 6.5 milliseconds on average.  ( 3 min )

Recent works have demonstrated the benefits of capturing long-distance dependency in graphs by deeper graph neural networks (GNNs). But deeper GNNs suffer from the long-lasting scalability challenge due to the neighborhood explosion problem in large-scale graphs. In this work, we propose to capture long-distance dependency in graphs by shallower models instead of deeper models, which leads to a much more efficient model, LazyGNN, for graph representation learning. Moreover, we demonstrate that LazyGNN is compatible with existing scalable approaches (such as sampling methods) for further accelerations through the development of mini-batch LazyGNN. Comprehensive experiments demonstrate its superior prediction performance and scalability on large-scale benchmarks. LazyGNN also achieves state-of-art performance on the OGB leaderboard.  ( 2 min )

Side-channel attacks that use machine learning (ML) for signal analysis have become prominent threats to computer security, as ML models easily find patterns in signals. To address this problem, this paper explores using Adversarial Machine Learning (AML) methods as a defense at the computer architecture layer to obfuscate side channels. We call this approach Defensive ML, and the generator to obfuscate signals, defender. Defensive ML is a workflow to design, implement, train, and deploy defenders for different environments. First, we design a defender architecture given the physical characteristics and hardware constraints of the side-channel. Next, we use our DefenderGAN structure to train the defender. Finally, we apply defensive ML to thwart two side-channel attacks: one based on memory contention and the other on application power. The former uses a hardware defender with ns-level response time that attains a high level of security with half the performance impact of a traditional scheme; the latter uses a software defender with ms-level response time that provides better security than a traditional scheme with only 70% of its power overhead.  ( 2 min )

Domain generalization aims to build generalized models that perform well on unseen domains when only source domains are available for model optimization. Recent studies have demonstrated that large-scale pre-trained models could play an important role in domain generalization by providing their generalization power. However, large-scale pre-trained models are not fully equipped with target task-specific knowledge due to a discrepancy between the pre-training objective and the target task. Although the task-specific knowledge could be learned from source domains by fine-tuning, this hurts the generalization power of the pre-trained models because of gradient bias toward the source domains. To address this issue, we propose a new domain generalization method that estimates unobservable gradients that reduce potential risks in unseen domains, using a large-scale pre-trained model. Our proposed method allows the pre-trained model to learn task-specific knowledge further while preserving its generalization ability with the estimated gradients. Experimental results show that our proposed method outperforms baseline methods on DomainBed, a standard benchmark in domain generalization. We also provide extensive analyses to demonstrate that the estimated unobserved gradients relieve the gradient bias, and the pre-trained model learns the task-specific knowledge without sacrificing its generalization power.  ( 2 min )

Self-supervised representation learning approaches have grown in popularity due to the ability to train models on large amounts of unlabeled data and have demonstrated success in diverse fields such as natural language processing, computer vision, and speech. Previous self-supervised work in the speech domain has disentangled multiple attributes of speech such as linguistic content, speaker identity, and rhythm. In this work, we introduce a self-supervised approach to disentangle room acoustics from speech and use the acoustic representation on the downstream task of device arbitration. Our results demonstrate that our proposed approach significantly improves performance over a baseline when labeled training data is scarce, indicating that our pretraining scheme learns to encode room acoustic information while remaining invariant to other attributes of the speech signal.  ( 2 min )

Foundation models (FMs), that are trained on broad data at scale and are adaptable to a wide range of downstream tasks, have brought large interest in the research community. Benefiting from the diverse data sources such as different modalities, languages and application domains, foundation models have demonstrated strong generalization and knowledge transfer capabilities. In this paper, we present a pioneering study towards building an efficient solution for FM-based speech recognition systems. We adopt the recently developed self-supervised BEST-RQ for pretraining, and propose the joint finetuning with both source and unsupervised target domain data using JUST Hydra. The FM encoder adapter and decoder are then finetuned to the target domain with a small amount of supervised in-domain data. On a large-scale YouTube and Voice Search task, our method is shown to be both data and model parameter efficient. It achieves the same quality with only 21.6M supervised in-domain data and 130.8M finetuned parameters, compared to the 731.1M model trained from scratch on additional 300M supervised in-domain data.  ( 2 min )

Many policy-based reinforcement learning (RL) algorithms can be viewed as instantiations of approximate policy iteration (PI), i.e., where policy improvement and policy evaluation are both performed approximately. In applications where the average reward objective is the meaningful performance metric, often discounted reward formulations are used with the discount factor being close to 1, which is equivalent to making the expected horizon very large. However, the corresponding theoretical bounds for error performance scale with the square of the horizon. Thus, even after dividing the total reward by the length of the horizon, the corresponding performance bounds for average reward problems go to infinity. Therefore, an open problem has been to obtain meaningful performance bounds for approximate PI and RL algorithms for the average-reward setting. In this paper, we solve this open problem by obtaining the first non-trivial error bounds for average-reward MDPs which go to zero in the limit where when policy evaluation and policy improvement errors go to zero.  ( 2 min )

Spiking neural networks (SNNs) are energy-efficient neural networks because of their spiking nature. However, as the spike firing rate of SNNs increases, the energy consumption does as well, and thus, the advantage of SNNs diminishes. Here, we tackle this problem by introducing a novel penalty term for the spiking activity into the objective function in the training phase. Our method is designed so as to optimize the energy consumption metric directly without modifying the network architecture. Therefore, the proposed method can reduce the energy consumption more than other methods while maintaining the accuracy. We conducted experiments for image classification tasks, and the results indicate the effectiveness of the proposed method, which mitigates the dilemma of the energy--accuracy trade-off.  ( 2 min )

We study stochastic optimization with linearly correlated noise. Our study is motivated by recent methods for optimization with differential privacy (DP), such as DP-FTRL, which inject noise via matrix factorization mechanisms. We propose an optimization problem that distils key facets of these DP methods and that involves perturbing gradients by linearly correlated noise. We derive improved convergence rates for gradient descent in this framework for convex and non-convex loss functions. Our theoretical analysis is novel and might be of independent interest. We use these convergence rates to develop new, effective matrix factorizations for differentially private optimization, and highlight the benefits of these factorizations theoretically and empirically.  ( 2 min )

Improving the emotional awareness of pre-trained language models is an emerging important problem for dialogue generation tasks. Although prior studies have introduced methods to improve empathetic dialogue generation, few have discussed how to incorporate commonsense knowledge into pre-trained language models for controllable dialogue generation. In this study, we propose a novel framework that improves empathetic dialogue generation using pre-trained language models by 1) incorporating commonsense knowledge through prompt verbalization, and 2) controlling dialogue generation using a strategy-driven future discriminator. We conducted experiments to reveal that both the incorporation of social commonsense knowledge and enforcement of control over generation help to improve generation performance. Finally, we discuss the implications of our study for future research.  ( 2 min )

Deep neural networks have seen enormous success in various real-world applications. Beyond their predictions as point estimates, increasing attention has been focused on quantifying the uncertainty of their predictions. In this review, we show that the uncertainty of deep neural networks is not only important in a sense of interpretability and transparency, but also crucial in further advancing their performance, particularly in learning systems seeking robustness and efficiency. We will generalize the definition of the uncertainty of deep neural networks to any number or vector that is associated with an input or an input-label pair, and catalog existing methods on ``mining'' such uncertainty from a deep model. We will include those methods from the classic field of uncertainty quantification as well as those methods that are specific to deep neural networks. We then show a wide spectrum of applications of such generalized uncertainty in realistic learning tasks including robust learning such as noisy learning, adversarially robust learning; data-efficient learning such as semi-supervised and weakly-supervised learning; and model-efficient learning such as model compression and knowledge distillation.  ( 2 min )

Serving large-scale machine learning (ML) models efficiently and with low latency has become challenging owing to increasing model size and complexity. Quantizing models can simultaneously reduce memory and compute requirements, facilitating their widespread access. However, for large models not all layers are equally amenable to the same numerical precision and aggressive quantization can lead to unacceptable loss in model accuracy. One approach to prevent this accuracy degradation is mixed-precision quantization, which allows different tensors to be quantized to varying levels of numerical precision, leveraging the capabilities of modern hardware. Such mixed-precision quantiztaion can more effectively allocate numerical precision to different tensors `as needed' to preserve model accuracy while reducing footprint and compute latency. In this paper, we propose a method to efficiently determine quantization configurations of different tensors in ML models using post-training mixed precision quantization. We analyze three sensitivity metrics and evaluate them for guiding configuration search of two algorithms. We evaluate our method for computer vision and natural language processing and demonstrate latency reductions of up to 27.59% and 34.31% compared to the baseline 16-bit floating point model while guaranteeing no more than 1% accuracy degradation.  ( 2 min )

We study stochastic delayed feedback in general multi-agent sequential decision making, which includes bandits, single-agent Markov decision processes (MDPs), and Markov games (MGs). We propose a novel reduction-based framework, which turns any multi-batched algorithm for sequential decision making with instantaneous feedback into a sample-efficient algorithm that can handle stochastic delays in sequential decision making. By plugging different multi-batched algorithms into our framework, we provide several examples demonstrating that our framework not only matches or improves existing results for bandits, tabular MDPs, and tabular MGs, but also provides the first line of studies on delays in sequential decision making with function approximation. In summary, we provide a complete set of sharp results for multi-agent sequential decision making with delayed feedback.  ( 2 min )

"AI as a Service" (AIaaS) is a rapidly growing market, offering various plug-and-play AI services and tools. AIaaS enables its customers (users) - who may lack the expertise, data, and/or resources to develop their own systems - to easily build and integrate AI capabilities into their applications. Yet, it is known that AI systems can encapsulate biases and inequalities that can have societal impact. This paper argues that the context-sensitive nature of fairness is often incompatible with AIaaS' 'one-size-fits-all' approach, leading to issues and tensions. Specifically, we review and systematise the AIaaS space by proposing a taxonomy of AI services based on the levels of autonomy afforded to the user. We then critically examine the different categories of AIaaS, outlining how these services can lead to biases or be otherwise harmful in the context of end-user applications. In doing so, we seek to draw research attention to the challenges of this emerging area.  ( 2 min )

In neural networks, continual learning results in gradient interference among sequential tasks, leading to catastrophic forgetting of old tasks while learning new ones. This issue is addressed in recent methods by storing the important gradient spaces for old tasks and updating the model orthogonally during new tasks. However, such restrictive orthogonal gradient updates hamper the learning capability of the new tasks resulting in sub-optimal performance. To improve new learning while minimizing forgetting, in this paper we propose a Scaled Gradient Projection (SGP) method, where we combine the orthogonal gradient projections with scaled gradient steps along the important gradient spaces for the past tasks. The degree of gradient scaling along these spaces depends on the importance of the bases spanning them. We propose an efficient method for computing and accumulating importance of these bases using the singular value decomposition of the input representations for each task. We conduct extensive experiments ranging from continual image classification to reinforcement learning tasks and report better performance with less training overhead than the state-of-the-art approaches.  ( 2 min )

``Effective robustness'' measures the extra out-of-distribution (OOD) robustness beyond what can be predicted from the in-distribution (ID) performance. Existing effective robustness evaluations typically use a single test set such as ImageNet to evaluate ID accuracy. This becomes problematic when evaluating models trained on different data distributions, e.g., comparing models trained on ImageNet vs. zero-shot language-image pre-trained models trained on LAION. In this paper, we propose a new effective robustness evaluation metric to compare the effective robustness of models trained on different data distributions. To do this we control for the accuracy on multiple ID test sets that cover the training distributions for all the evaluated models. Our new evaluation metric provides a better estimate of the effectiveness robustness and explains the surprising effective robustness gains of zero-shot CLIP-like models exhibited when considering only one ID dataset, while the gains diminish under our evaluation.  ( 2 min )

Fair machine learning methods seek to train models that balance model performance across demographic subgroups defined over sensitive attributes like race and gender. Although sensitive attributes are typically assumed to be known during training, they may not be available in practice due to privacy and other logistical concerns. Recent work has sought to train fair models without sensitive attributes on training data. However, these methods need extensive hyper-parameter tuning to achieve good results, and hence assume that sensitive attributes are known on validation data. However, this assumption too might not be practical. Here, we propose Antigone, a framework to train fair classifiers without access to sensitive attributes on either training or validation data. Instead, we generate pseudo sensitive attributes on the validation data by training a biased classifier and using the classifier's incorrectly (correctly) labeled examples as proxies for minority (majority) groups. Since fairness metrics like demographic parity, equal opportunity and subgroup accuracy can be estimated to within a proportionality constant even with noisy sensitive attribute information, we show theoretically and empirically that these proxy labels can be used to maximize fairness under average accuracy constraints. Key to our results is a principled approach to select the hyper-parameters of the biased classifier in a completely unsupervised fashion (meaning without access to ground truth sensitive attributes) that minimizes the gap between fairness estimated using noisy versus ground-truth sensitive labels.  ( 2 min )

In digital marketing, experimenting with new website content is one of the key levers to improve customer engagement. However, creating successful marketing content is a manual and time-consuming process that lacks clear guiding principles. This paper seeks to close the loop between content creation and online experimentation by offering marketers AI-driven actionable insights based on historical data to improve their creative process. We present a neural-network-based system that scores and extracts insights from a marketing content design, namely, a multimodal neural network predicts the attractiveness of marketing contents, and a post-hoc attribution method generates actionable insights for marketers to improve their content in specific marketing locations. Our insights not only point out the advantages and drawbacks of a given current content, but also provide design recommendations based on historical data. We show that our scoring model and insights work well both quantitatively and qualitatively.  ( 2 min )

Most work on the formal verification of neural networks has focused on bounding forward images of neural networks, i.e., the set of outputs of a neural network that correspond to a given set of inputs (for example, bounded perturbations of a nominal input). However, many use cases of neural network verification require solving the inverse problem, i.e, over-approximating the set of inputs that lead to certain outputs. In this work, we present the first efficient bound propagation algorithm, INVPROP, for verifying properties over the preimage of a linearly constrained output set of a neural network, which can be combined with branch-and-bound to achieve completeness. Our efficient algorithm allows multiple passes of intermediate bound refinements, which are crucial for tight inverse verification because the bounds of an intermediate layer depend on relaxations both before and after this layer. We demonstrate our algorithm on applications related to quantifying safe control regions for a dynamical system and detecting out-of-distribution inputs to a neural network. Our results show that in certain settings, we can find over-approximations that are over 2500 times tighter than prior work while being 2.5 times faster on the same hardware.  ( 2 min )

Alzheimer's disease is a degenerative brain disease. Being the primary cause of Dementia in adults and progressively destroys brain memory. Though Alzheimer's disease does not have a cure currently, diagnosing it at an earlier stage will help reduce the severity of the disease. Thus, early diagnosis of Alzheimer's could help to reduce or stop the disease from progressing. In this paper, we proposed a deep convolutional neural network-based model for learning model using to determine the stage of Dementia in adults based on the Magnetic Resonance Imaging (MRI) images to detect the early onset of Alzheimer's.  ( 2 min )

Learning good image representations that are beneficial to downstream tasks is a challenging task in computer vision. As such, a wide variety of self-supervised learning approaches have been proposed. Among them, contrastive learning has shown competitive performance on several benchmark datasets. The embeddings of contrastive learning are arranged on a hypersphere that results in using the inner (dot) product as a distance measurement in Euclidean space. However, the underlying structure of many scientific fields like social networks, brain imaging, and computer graphics data exhibit highly non-Euclidean latent geometry. We propose a novel contrastive learning framework to learn semantic relationships in the hyperbolic space. Hyperbolic space is a continuous version of trees that naturally owns the ability to model hierarchical structures and is thus beneficial for efficient contrastive representation learning. We also extend the proposed Hyperbolic Contrastive Learning (HCL) to the supervised domain and studied the adversarial robustness of HCL. The comprehensive experiments show that our proposed method achieves better results on self-supervised pretraining, supervised classification, and higher robust accuracy than baseline methods.  ( 2 min )

Modern deep learning requires large volumes of data, which could contain sensitive or private information which cannot be leaked. Recent work has shown for homogeneous neural networks a large portion of this training data could be reconstructed with only access to the trained network parameters. While the attack was shown to work empirically, there exists little formal understanding of its effectiveness regime, and ways to defend against it. In this work, we first build a stronger version of the dataset reconstruction attack and show how it can provably recover its entire training set in the infinite width regime. We then empirically study the characteristics of this attack on two-layer networks and reveal that its success heavily depends on deviations from the frozen infinite-width Neural Tangent Kernel limit. More importantly, we formally show for the first time that dataset reconstruction attacks are a variation of dataset distillation. This key theoretical result on the unification of dataset reconstruction and distillation not only sheds more light on the characteristics of the attack but enables us to design defense mechanisms against them via distillation algorithms.  ( 2 min )

Randomized ensemble classifiers (RECs), where one classifier is randomly selected during inference, have emerged as an attractive alternative to traditional ensembling methods for realizing adversarially robust classifiers with limited compute requirements. However, recent works have shown that existing methods for constructing RECs are more vulnerable than initially claimed, casting major doubts on their efficacy and prompting fundamental questions such as: "When are RECs useful?", "What are their limits?", and "How do we train them?". In this work, we first demystify RECs as we derive fundamental results regarding their theoretical limits, necessary and sufficient conditions for them to be useful, and more. Leveraging this new understanding, we propose a new boosting algorithm (BARRE) for training robust RECs, and empirically demonstrate its effectiveness at defending against strong $\ell_\infty$ norm-bounded adversaries across various network architectures and datasets.  ( 2 min )

The top-k operator returns a k-sparse vector, where the non-zero values correspond to the k largest values of the input. Unfortunately, because it is a discontinuous function, it is difficult to incorporate in neural networks trained end-to-end with backpropagation. Recent works have considered differentiable relaxations, based either on regularization or perturbation techniques. However, to date, no approach is fully differentiable and sparse. In this paper, we propose new differentiable and sparse top-k operators. We view the top-k operator as a linear program over the permutahedron, the convex hull of permutations. We then introduce a p-norm regularization term to smooth out the operator, and show that its computation can be reduced to isotonic optimization. Our framework is significantly more general than the existing one and allows for example to express top-k operators that select values in magnitude. On the algorithmic side, in addition to pool adjacent violator (PAV) algorithms, we propose a new GPU/TPU-friendly Dykstra algorithm to solve isotonic optimization problems. We successfully use our operators to prune weights in neural networks, to fine-tune vision transformers, and as a router in sparse mixture of experts.  ( 2 min )

This paper investigates the use of prior computation to estimate the value function to improve sample efficiency in on-policy policy gradient methods in reinforcement learning. Our approach is to estimate the value function from prior computations, such as from the Q-network learned in DQN or the value function trained for different but related environments. In particular, we learn a new value function for the target task while combining it with a value estimate from the prior computation. Finally, the resulting value function is used as a baseline in the policy gradient method. This use of a baseline has the theoretical property of reducing variance in gradient computation and thus improving sample efficiency. The experiments show the successful use of prior value estimates in various settings and improved sample efficiency in several tasks.  ( 2 min )

Continuous Blood Glucose (CGM) monitors have revolutionized the ability of diabetics to manage their blood glucose, and paved the way for artificial pancreas systems. In this paper we augment CGM data with sensor input collected by a smart phone and use it to provide analytical tools for patients and clinicians. We collected GPS data, activity classifications, and blood glucose data with a custom iOS application over a 9 month period from a single free-living type-1 diabetic patient. This data set is novel in terms of it's size, the inclusion of GPS data, and the fact that it was collected non-intrusively from a free-living patient. We describe a method to measure the occurrence of lifestyle \textit{events} based on GPS and activity data, and show that they can capture instances of food consumption and are therefore correlated to changes in blood glucose. Finally, we incorporate these event representations into our system to create useful visualizations and notifications to aid patients in managing their diabetes.  ( 2 min )

Recommendation systems are dynamic economic systems that balance the needs of multiple stakeholders. A recent line of work studies incentives from the content providers' point of view. Content providers, e.g., vloggers and bloggers, contribute fresh content and rely on user engagement to create revenue and finance their operations. In this work, we propose a contextual multi-armed bandit setting to model the dependency of content providers on exposure. In our model, the system receives a user context in every round and has to select one of the arms. Every arm is a content provider who must receive a minimum number of pulls every fixed time period (e.g., a month) to remain viable in later rounds; otherwise, the arm departs and is no longer available. The system aims to maximize the users' (content consumers) welfare. To that end, it should learn which arms are vital and ensure they remain viable by subsidizing arm pulls if needed. We develop algorithms with sub-linear regret, as well as a lower bound that demonstrates that our algorithms are optimal up to logarithmic factors.  ( 2 min )

The popularity of learning from data with machine learning and neural networks has lead to the creation of many new datasets for almost every problem domain. However, even within a single domain, these datasets are often collected with disparate features, sampled from different sub-populations, and recorded at different time points. Even with the plethora of individual datasets, large data science projects can be difficult as it is often not trivial to merge these smaller datasets. Inherent challenges in some domains such as medicine also makes it very difficult to create large single source datasets or multi-source datasets with identical features. Instead of trying to merge these non-matching datasets directly, we propose a neural network architecture that can provide data augmentation using features common between these datasets. Our results show that this style of data augmentation can work for both image and tabular data.  ( 2 min )

Deep artificial neural networks show high predictive performance in many fields, but they do not afford statistical inferences and their black-box operations are too complicated for humans to comprehend. Because positing that a relationship exists is often more important than prediction in scientific experiments and research models, machine learning is far less frequently used than inferential statistics. Additionally, statistics calls for improving the test of theory by showing the magnitude of the phenomena being studied. This article extends current XAI methods and develops a model agnostic hypothesis testing framework for machine learning. First, Fisher's variable permutation algorithm is tweaked to compute an effect size measure equivalent to Cohen's f2 for OLS regression models. Second, the Mann-Kendall test of monotonicity and the Theil-Sen estimator is applied to Apley's accumulated local effect plots to specify a variable's direction of influence and statistical significance. The usefulness of this approach is demonstrated on an artificial data set and a social survey with a Python sandbox implementation.  ( 2 min )

Heterogeneous treatment effects (HTE) based on patients' genetic or clinical factors are of significant interest to precision medicine. Simultaneously modeling HTE and corresponding main effects for randomized clinical trials with high-dimensional predictive markers is challenging. Motivated by the modified covariates approach, we propose a two-stage statistical learning procedure for estimating HTE with optimal efficiency augmentation, generalizing to arbitrary interaction model and exploiting powerful extreme gradient boosting trees (XGBoost). Target estimands for HTE are defined in the scale of mean difference for quantitative outcomes, or risk ratio for binary outcomes, which are the minimizers of specialized loss functions. The first stage is to estimate the main-effect equivalency of the baseline markers on the outcome, which is then used as an augmentation term in the second stage estimation for HTE. The proposed two-stage procedure is robust to model mis-specification of main effects and improves efficiency for estimating HTE through nonparametric function estimation, e.g., XGBoost. A permutation test is proposed for global assessment of evidence for HTE. An analysis of a genetic study in Prostate Cancer Prevention Trial led by the SWOG Cancer Research Network, is conducted to showcase the properties and the utilities of the two-stage method.  ( 2 min )

In machine learning, the selection of a promising model from a potentially large number of competing models and the assessment of its generalization performance are critical tasks that need careful consideration. Typically, model selection and evaluation are strictly separated endeavors, splitting the sample at hand into a training, validation, and evaluation set, and only compute a single confidence interval for the prediction performance of the final selected model. We however propose an algorithm how to compute valid lower confidence bounds for multiple models that have been selected based on their prediction performances in the evaluation set by interpreting the selection problem as a simultaneous inference problem. We use bootstrap tilting and a maxT-type multiplicity correction. The approach is universally applicable for any combination of prediction models, any model selection strategy, and any prediction performance measure that accepts weights. We conducted various simulation experiments which show that our proposed approach yields lower confidence bounds that are at least comparably good as bounds from standard approaches, and that reliably reach the nominal coverage probability. In addition, especially when sample size is small, our proposed approach yields better performing prediction models than the default selection of only one model for evaluation does.  ( 3 min )

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions and more general loss functions, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g. noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.  ( 2 min )

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.  ( 2 min )

We propose an intuitive, machine-learning approach to multiparameter inference, dubbed the InferoStatic Networks (ISN) method, to model the score and likelihood ratio estimators in cases when the probability density can be sampled but not computed directly. The ISN uses a backend neural network that models a scalar function called the inferostatic potential $\varphi$. In addition, we introduce new strategies, respectively called Kernel Score Estimation (KSE) and Kernel Likelihood Ratio Estimation (KLRE), to learn the score and the likelihood ratio functions from simulated data. We illustrate the new techniques with some toy examples and compare to existing approaches in the literature. We mention en passant some new loss functions that optimally incorporate latent information from simulations into the training procedure.  ( 2 min )

Spurious correlations, or correlations that change across domains where a model can be deployed, present significant challenges to real-world applications of machine learning models. However, such correlations are not always "spurious"; often, they provide valuable prior information for a prediction. Here, we present a test-time adaptation method that exploits the spurious correlation phenomenon, in contrast to recent approaches that attempt to eliminate spurious correlations through invariance. We consider situations where the prior distribution $p(y, z)$, which models the dependence between the class label $y$ and the "nuisance" factors $z$, may change across domains, but the generative model for features $p(\mathbf{x}|y, z)$ is constant. We note that this corresponds to an expanded version of the label shift assumption, where the labels now also include the nuisance factors $z$. Based on this observation, we train a classifier to predict $p(y, z|\mathbf{x})$ on the source distribution, and propose a test-time label shift correction that adapts to changes in the marginal distribution $p(y, z)$ using unlabeled samples from the target domain. We evaluate our method, which we call "Test-Time Label-Shift Adaptation" (TTLSA), on two different image datasets -- the CheXpert chest X-ray dataset and the Colored MNIST dataset -- and show a significant improvement over baseline methods. Code reproducing experiments is available at https://github.com/nalzok/test-time-label-shift .  ( 2 min )

Machine learning models have been employed to perform either physics-free data-driven or hybrid dynamical downscaling of climate data. Most of these implementations operate over relatively small downscaling factors because of the challenge of recovering fine-scale information from coarse data. This limits their compatibility with many global climate model outputs, often available between $\sim$50--100 km resolution, to scales of interest such as cloud resolving or urban scales. This study systematically examines the capability of convolutional neural networks (CNNs) to downscale surface wind speed data over land surface from different coarse resolutions (25 km, 48 km, and 100 km resolution) to 3 km. For each downscaling factor, we consider three CNN configurations that generate super-resolved predictions of fine-scale wind speed, which take between 1 to 3 input fields: coarse wind speed, fine-scale topography, and diurnal cycle. In addition to fine-scale wind speeds, probability density function parameters are generated, through which sample wind speeds can be generated accounting for the intrinsic stochasticity of wind speed. For generalizability assessment, CNN models are tested on regions with different topography and climate that are unseen during training. The evaluation of super-resolved predictions focuses on subgrid-scale variability and the recovery of extremes. Models with coarse wind and fine topography as inputs exhibit the best performance compared with other model configurations, operating across the same downscaling factor. Our diurnal cycle encoding results in lower out-of-sample generalizability compared with other input configurations.  ( 2 min )

This paper proposes a novel framework for certifying the fairness of predictive models trained on biased data. It draws from query answering for incomplete and inconsistent databases to formulate the problem of consistent range approximation (CRA) of fairness queries for a predictive model on a target population. The framework employs background knowledge of the data collection process and biased data, working with or without limited statistics about the target population, to compute a range of answers for fairness queries. Using CRA, the framework builds predictive models that are certifiably fair on the target population, regardless of the availability of external data during training. The framework's efficacy is demonstrated through evaluations on real data, showing substantial improvement over existing state-of-the-art methods.  ( 2 min )

Modern deep learning systems are increasingly deployed in situations such as personalization and federated learning where it is necessary to support i) learning on small amounts of data, and ii) communication efficient distributed training protocols. In this work, we develop FiLM Transfer (FiT) which fulfills these requirements in the image classification setting by combining ideas from transfer learning (fixed pretrained backbones and fine-tuned FiLM adapter layers) and meta-learning (automatically configured Naive Bayes classifiers and episodic training) to yield parameter efficient models with superior classification accuracy at low-shot. The resulting parameter efficiency is key for enabling few-shot learning, inexpensive model updates for personalization, and communication efficient federated learning. We experiment with FiT on a wide range of downstream datasets and show that it achieves better classification accuracy than the leading Big Transfer (BiT) algorithm at low-shot and achieves state-of-the art accuracy on the challenging VTAB-1k benchmark, with fewer than 1% of the updateable parameters. Finally, we demonstrate the parameter efficiency and superior accuracy of FiT in distributed low-shot applications including model personalization and federated learning where model update size is an important performance metric.  ( 2 min )

We consider the estimation of average treatment effects in observational studies and propose a new framework of robust causal inference with unobserved confounders. Our approach is based on distributionally robust optimization and proceeds in two steps. We first specify the maximal degree to which the distribution of unobserved potential outcomes may deviate from that of observed outcomes. We then derive sharp bounds on the average treatment effects under this assumption. Our framework encompasses the popular marginal sensitivity model as a special case, and we demonstrate how the proposed methodology can address a primary challenge of the marginal sensitivity model that it produces uninformative results when unobserved confounders substantially affect treatment and outcome. Specifically, we develop an alternative sensitivity model, called the distributional sensitivity model, under the assumption that heterogeneity of treatment effect due to unobserved variables is relatively small. Unlike the marginal sensitivity model, the distributional sensitivity model allows for potential lack of overlap and often produces informative bounds even when unobserved variables substantially affect both treatment and outcome. Finally, we show how to extend the distributional sensitivity model to difference-in-differences designs and settings with instrumental variables. Through simulation and empirical studies, we demonstrate the applicability of the proposed methodology.  ( 2 min )

Counterfactual invariance has proven an essential property for predictors that are fair, robust, and generalizable in the real world. We propose a general definition of counterfactual invariance and provide simple graphical criteria that yield a sufficient condition for a predictor to be counterfactually invariant in terms of (conditional independence in) the observational distribution. Any predictor that satisfies our criterion is provably counterfactually invariant. In order to learn such predictors, we propose a model-agnostic framework, called Counterfactual Invariance Prediction (CIP), based on a kernel-based conditional dependence measure called Hilbert-Schmidt Conditional Independence Criterion (HSCIC). Our experimental results demonstrate the effectiveness of CIP in enforcing counterfactual invariance across various types of data including tabular, high-dimensional, and real-world dataset.  ( 2 min )

Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence. While existing work focuses on using the variance of the Bayesian posterior due to parameter uncertainty as a measure of epistemic uncertainty, we argue that this does not capture the part of lack of knowledge induced by model misspecification. We discuss how the excess risk, which is the gap between the generalization error of a predictor and the Bayes predictor, is a sound measure of epistemic uncertainty which captures the effect of model misspecification. We thus propose a principled framework for directly estimating the excess risk by learning a secondary predictor for the generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. We discuss the merits of this novel measure of epistemic uncertainty, and highlight how it differs from variance-based measures of epistemic uncertainty and addresses its major pitfall. Our framework, Direct Epistemic Uncertainty Prediction (DEUP) is particularly interesting in interactive learning environments, where the learner is allowed to acquire novel examples in each round. Through a wide set of experiments, we illustrate how existing methods in sequential model optimization can be improved with epistemic uncertainty estimates from DEUP, and how DEUP can be used to drive exploration in reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic image classification and predicting synergies of drug combinations.  ( 2 min )

Data representativity is crucial when drawing inference from data through machine learning models. Scholars have increased focus on unraveling the bias and fairness in models, also in relation to inherent biases in the input data. However, limited work exists on the representativity of samples (datasets) for appropriate inference in AI systems. This paper reviews definitions and notions of a representative sample and surveys their use in scientific AI literature. We introduce three measurable concepts to help focus the notions and evaluate different data samples. Furthermore, we demonstrate that the contrast between a representative sample in the sense of coverage of the input space, versus a representative sample mimicking the distribution of the target population is of particular relevance when building AI systems. Through empirical demonstrations on US Census data, we evaluate the opposing inherent qualities of these concepts. Finally, we propose a framework of questions for creating and documenting data with data representativity in mind, as an addition to existing dataset documentation templates.  ( 2 min )

We study the relationship between two desiderata of algorithms in statistical inference and machine learning: differential privacy and robustness to adversarial data corruptions. Their conceptual similarity was first observed by Dwork and Lei (STOC 2009), who observed that private algorithms satisfy robustness, and gave a general method for converting robust algorithms to private ones. However, all general methods for transforming robust algorithms into private ones lead to suboptimal error rates. Our work gives the first black-box transformation that converts any adversarially robust algorithm into one that satisfies pure differential privacy. Moreover, we show that for any low-dimensional estimation task, applying our transformation to an optimal robust estimator results in an optimal private estimator. Thus, we conclude that for any low-dimensional task, the optimal error rate for $\varepsilon$-differentially private estimators is essentially the same as the optimal error rate for estimators that are robust to adversarially corrupting $1/\varepsilon$ training samples. We apply our transformation to obtain new optimal private estimators for several high-dimensional tasks, including Gaussian (sparse) linear regression and PCA. Finally, we present an extension of our transformation that leads to approximate differentially private algorithms whose error does not depend on the range of the output space, which is impossible under pure differential privacy.  ( 2 min )

We rigorously quantify the improvement in the sample complexity of variational divergence estimations for group-invariant distributions. In the cases of the Wasserstein-1 metric and the Lipschitz-regularized $\alpha$-divergences, the reduction of sample complexity is proportional to an ambient-dimension-dependent power of the group size. For the maximum mean discrepancy (MMD), the improvement of sample complexity is more nuanced, as it depends on not only the group size but also the choice of kernel. Numerical simulations verify our theories.  ( 2 min )

Certified defenses are a recent development in adversarial machine learning (ML), which aim to rigorously guarantee the robustness of ML models to adversarial perturbations. A large body of work studies certified defenses in computer vision, where $\ell_p$ norm-bounded evasion attacks are adopted as a tractable threat model. However, this threat model has known limitations in vision, and is not applicable to other domains -- e.g., where inputs may be discrete or subject to complex constraints. Motivated by this gap, we study certified defenses for malware detection, a domain where attacks against ML-based systems are a real and current threat. We consider static malware detection systems that operate on byte-level data. Our certified defense is based on the approach of randomized smoothing which we adapt by: (1) replacing the standard Gaussian randomization scheme with a novel deletion randomization scheme that operates on bytes or chunks of an executable; and (2) deriving a certificate that measures robustness to evasion attacks in terms of generalized edit distance. To assess the size of robustness certificates that are achievable while maintaining high accuracy, we conduct experiments on malware datasets using a popular convolutional malware detection model, MalConv. We are able to accurately classify 91% of the inputs while being certifiably robust to any adversarial perturbations of edit distance 128 bytes or less. By comparison, an existing certification of up to 128 bytes of substitutions (without insertions or deletions) achieves an accuracy of 78%. In addition, given that robustness certificates are conservative, we evaluate practical robustness to several recently published evasion attacks and, in some cases, find robustness beyond certified guarantees.  ( 2 min )

Deep learning (DL) has emerged as a promising tool to downscale climate projections at regional-to-local scales from large-scale atmospheric fields following the perfect-prognosis (PP) approach. Given their complexity, it is crucial to properly evaluate these methods, especially when applied to changing climatic conditions where the ability to extrapolate/generalise is key. In this work, we intercompare several DL models extracted from the literature for the same challenging use-case (downscaling temperature in the CORDEX North America domain) and expand standard evaluation methods building on eXplainable artifical intelligence (XAI) techniques. We show how these techniques can be used to unravel the internal behaviour of these models, providing new evaluation dimensions and aiding in their diagnostic and design. These results show the usefulness of incorporating XAI techniques into statistical downscaling evaluation frameworks, especially when working with large regions and/or under climate change conditions.  ( 2 min )

Network anomaly detection is a very relevant research area nowadays, especially due to its multiple applications in the field of network security. The boost of new models based on variational autoencoders and generative adversarial networks has motivated a reevaluation of traditional techniques for anomaly detection. It is, however, essential to be able to understand these new models from the perspective of the experience attained from years of evaluating network security data for anomaly detection. In this paper, we revisit anomaly detection techniques based on PCA from a probabilistic generative model point of view, and contribute a mathematical model that relates them. Specifically, we start with the probabilistic PCA model and explain its connection to the Multivariate Statistical Network Monitoring (MSNM) framework. MSNM was recently successfully proposed as a means of incorporating industrial process anomaly detection experience into the field of networking. We have evaluated the mathematical model using two different datasets. The first, a synthetic dataset created to better understand the analysis proposed, and the second, UGR'16, is a specifically designed real-traffic dataset for network security anomaly detection. We have drawn conclusions that we consider to be useful when applying generative models to network security detection.  ( 2 min )

The impressive generalization performance of modern neural networks is attributed in part to their ability to implicitly memorize complex training patterns. Inspired by this, we explore a novel mechanism to improve model generalization via explicit memorization. Specifically, we propose the residual-memorization (ResMem) algorithm, a new method that augments an existing prediction model (e.g. a neural network) by fitting the model's residuals with a $k$-nearest neighbor based regressor. The final prediction is then the sum of the original model and the fitted residual regressor. By construction, ResMem can explicitly memorize the training labels. Empirically, we show that ResMem consistently improves the test set generalization of the original prediction model across various standard vision and natural language processing benchmarks. Theoretically, we formulate a stylized linear regression problem and rigorously show that ResMem results in a more favorable test risk over the base predictor.  ( 2 min )

In the stochastic multi-armed bandit problem, a randomized probability matching policy called Thompson sampling (TS) has shown excellent performance in various reward models. In addition to the empirical performance, TS has been shown to achieve asymptotic problem-dependent lower bounds in several models. However, its optimality has been mainly addressed under light-tailed or one-parameter models that belong to exponential families. In this paper, we consider the optimality of TS for the Pareto model that has a heavy tail and is parameterized by two unknown parameters. Specifically, we discuss the optimality of TS with probability matching priors that include the Jeffreys prior and the reference priors. We first prove that TS with certain probability matching priors can achieve the optimal regret bound. Then, we show the suboptimality of TS with other priors, including the Jeffreys and the reference priors. Nevertheless, we find that TS with the Jeffreys and reference priors can achieve the asymptotic lower bound if one uses a truncation procedure. These results suggest carefully choosing noninformative priors to avoid suboptimality and show the effectiveness of truncation procedures in TS-based policies.  ( 2 min )

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).  ( 2 min )

To identify patients who are hospitalized because of COVID-19 as opposed to those who were admitted for other indications, we compared the performance of different computable phenotype definitions for COVID-19 hospitalizations that use different types of data from the electronic health records (EHR), including structured EHR data elements, provider notes, or a combination of both data types. And conduct a retrospective data analysis utilizing chart review-based validation. Participants are 586 hospitalized individuals who tested positive for SARS-CoV-2 during January 2022. We used natural language processing to incorporate data from provider notes and LASSO regression and Random Forests to fit classification algorithms that incorporated structured EHR data elements, provider notes, or a combination of structured data and provider notes. Results: Based on a chart review, 38% of 586 patients were determined to be hospitalized for reasons other than COVID-19 despite having tested positive for SARS-CoV-2. A classification algorithm that used provider notes had significantly better discrimination than one that used structured EHR data elements (AUROC: 0.894 vs 0.841, p < 0.001), and performed similarly to a model that combined provider notes with structured data elements (AUROC: 0.894 vs 0.893). Assessments of hospital outcome metrics significantly differed based on whether the population included all hospitalized patients who tested positive for SARS-CoV-2 versus those who were determined to have been hospitalized due to COVID-19. This work demonstrates the utility of natural language processing approaches to derive information related to patient hospitalizations in cases where there may be multiple conditions that could serve as the primary indication for hospitalization.  ( 3 min )

This paper introduces a novel residual correlation analysis, called AZ-analysis, to assess the optimality of spatio-temporal predictive models. The proposed AZ-analysis constitutes a valuable asset for discovering and highlighting those space-time regions where the model can be improved with respect to performance. The AZ-analysis operates under very mild assumptions and is based on a spatio-temporal graph that encodes serial and functional dependencies in the data; asymptotically distribution-free summary statistics identify existing residual correlation in space and time regions, hence localizing time frames and/or communities of sensors, where the predictor can be improved.  ( 2 min )

One of the most critical problems in machine learning is HyperParameter Optimization (HPO), since choice of hyperparameters has a significant impact on final model performance. Although there are many HPO algorithms, they either have no theoretical guarantees or require strong assumptions. To this end, we introduce BLiE -- a Lipschitz-bandit-based algorithm for HPO that only assumes Lipschitz continuity of the objective function. BLiE exploits the landscape of the objective function to adaptively search over the hyperparameter space. Theoretically, we show that $(i)$ BLiE finds an $\epsilon$-optimal hyperparameter with $O \left( \frac{1}{\epsilon} \right)^{d_z + \beta}$ total budgets, where $d_z$ and $\beta$ are problem intrinsic; $(ii)$ BLiE is highly parallelizable. Empirically, we demonstrate that BLiE outperforms the state-of-the-art HPO algorithms on benchmark tasks. We also apply BLiE to search for noise schedule of diffusion models. Comparison with the default schedule shows that BLiE schedule greatly improves the sampling speed.  ( 2 min )

We analyze a practical algorithm for sparse PCA on incomplete and noisy data under a general non-random sampling scheme. The algorithm is based on a semidefinite relaxation of the $\ell_1$-regularized PCA problem. We provide theoretical justification that under certain conditions, we can recover the support of the sparse leading eigenvector with high probability by obtaining a unique solution. The conditions involve the spectral gap between the largest and second-largest eigenvalues of the true data matrix, the magnitude of the noise, and the structural properties of the observed entries. The concepts of algebraic connectivity and irregularity are used to describe the structural properties of the observed entries. We empirically justify our theorem with synthetic and real data analysis. We also show that our algorithm outperforms several other sparse PCA approaches especially when the observed entries have good structural properties. As a by-product of our analysis, we provide two theorems to handle a deterministic sampling scheme, which can be applied to other matrix-related problems.  ( 2 min )

This is the second part of our series works on failure-informed adaptive sampling for physic-informed neural networks (FI-PINNs). In our previous work \cite{gao2022failure}, we have presented an adaptive sampling framework by using the failure probability as the posterior error indicator, where the truncated Gaussian model has been adopted for estimating the indicator. In this work, we present two novel extensions to FI-PINNs. The first extension consist in combining with a re-sampling technique, so that the new algorithm can maintain a constant training size. This is achieved through a cosine-annealing, which gradually transforms the sampling of collocation points from uniform to adaptive via training progress. The second extension is to present the subset simulation algorithm as the posterior model (instead of the truncated Gaussian model) for estimating the error indicator, which can more effectively estimate the failure probability and generate new effective training points in the failure region. We investigate the performance of the new approach using several challenging problems, and numerical experiments demonstrate a significant improvement over the original algorithm.  ( 2 min )

Modern deep learning requires large volumes of data, which could contain sensitive or private information which cannot be leaked. Recent work has shown for homogeneous neural networks a large portion of this training data could be reconstructed with only access to the trained network parameters. While the attack was shown to work empirically, there exists little formal understanding of its effectiveness regime, and ways to defend against it. In this work, we first build a stronger version of the dataset reconstruction attack and show how it can provably recover its entire training set in the infinite width regime. We then empirically study the characteristics of this attack on two-layer networks and reveal that its success heavily depends on deviations from the frozen infinite-width Neural Tangent Kernel limit. More importantly, we formally show for the first time that dataset reconstruction attacks are a variation of dataset distillation. This key theoretical result on the unification of dataset reconstruction and distillation not only sheds more light on the characteristics of the attack but enables us to design defense mechanisms against them via distillation algorithms.  ( 2 min )

The top-k operator returns a k-sparse vector, where the non-zero values correspond to the k largest values of the input. Unfortunately, because it is a discontinuous function, it is difficult to incorporate in neural networks trained end-to-end with backpropagation. Recent works have considered differentiable relaxations, based either on regularization or perturbation techniques. However, to date, no approach is fully differentiable and sparse. In this paper, we propose new differentiable and sparse top-k operators. We view the top-k operator as a linear program over the permutahedron, the convex hull of permutations. We then introduce a p-norm regularization term to smooth out the operator, and show that its computation can be reduced to isotonic optimization. Our framework is significantly more general than the existing one and allows for example to express top-k operators that select values in magnitude. On the algorithmic side, in addition to pool adjacent violator (PAV) algorithms, we propose a new GPU/TPU-friendly Dykstra algorithm to solve isotonic optimization problems. We successfully use our operators to prune weights in neural networks, to fine-tune vision transformers, and as a router in sparse mixture of experts.  ( 2 min )

Heterogeneous treatment effects (HTE) based on patients' genetic or clinical factors are of significant interest to precision medicine. Simultaneously modeling HTE and corresponding main effects for randomized clinical trials with high-dimensional predictive markers is challenging. Motivated by the modified covariates approach, we propose a two-stage statistical learning procedure for estimating HTE with optimal efficiency augmentation, generalizing to arbitrary interaction model and exploiting powerful extreme gradient boosting trees (XGBoost). Target estimands for HTE are defined in the scale of mean difference for quantitative outcomes, or risk ratio for binary outcomes, which are the minimizers of specialized loss functions. The first stage is to estimate the main-effect equivalency of the baseline markers on the outcome, which is then used as an augmentation term in the second stage estimation for HTE. The proposed two-stage procedure is robust to model mis-specification of main effects and improves efficiency for estimating HTE through nonparametric function estimation, e.g., XGBoost. A permutation test is proposed for global assessment of evidence for HTE. An analysis of a genetic study in Prostate Cancer Prevention Trial led by the SWOG Cancer Research Network, is conducted to showcase the properties and the utilities of the two-stage method.  ( 2 min )

Deep artificial neural networks show high predictive performance in many fields, but they do not afford statistical inferences and their black-box operations are too complicated for humans to comprehend. Because positing that a relationship exists is often more important than prediction in scientific experiments and research models, machine learning is far less frequently used than inferential statistics. Additionally, statistics calls for improving the test of theory by showing the magnitude of the phenomena being studied. This article extends current XAI methods and develops a model agnostic hypothesis testing framework for machine learning. First, Fisher's variable permutation algorithm is tweaked to compute an effect size measure equivalent to Cohen's f2 for OLS regression models. Second, the Mann-Kendall test of monotonicity and the Theil-Sen estimator is applied to Apley's accumulated local effect plots to specify a variable's direction of influence and statistical significance. The usefulness of this approach is demonstrated on an artificial data set and a social survey with a Python sandbox implementation.  ( 2 min )

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​ https://preview.redd.it/nidkmqbtsnga1.png?width=1536&format=png&auto=webp&s=27719de8800d612139e93fe177e2fa63f03f4e0e https://www.twitch.tv/ai_media ​ Help me to learn by chatting with me! submitted by /u/BlueBug02 [link] [comments]  ( 40 min )

hi all! I created a simple free tool where you can summarize and query documents of any size and estimate the cost to do so: https://www.wrotescan.com You can edit the prompts as well as automatically chunk and combine documents. There's also a cost estimator for any pdf you upload. Let me know if you want me to run some examples for you! Send me a pdf and tell me what you'd like summarized or extracted. Tips Please be sure to keep {text} in both prompts or the program will not input your document's text into the map reduce summarizer. {text} can only appear once in each prompt. It is where the text from each chunk to be summarized is input into the prompts. Create a temporary OpenAI key / org to use with this site so you do not have to provide credit card information then be sure to delete the temp key when you are done. Learnings Some interesting learnings I had while creating the tool: - Minimizing the number of steps through the AI improved summarization, so map reduce was often better than a more advanced refine workflow which passes the output through the model many more times. - LangChain is great for managing multiple step language model calls and bypassing the current limitations of ChatGPT submitted by /u/aicharades [link] [comments]  ( 50 min )

I went through the entire blog post from Google and pulled out some quotes and highlights: ​ 1) “we re-oriented the company around AI six years ago” Right off the bat, “Pich-AI” lets it be known that Google is now an AI company. Partially true? Yes, of course. Would that phrase be coming out of his mouth at this point if not for the release and success of ChatGPT? No. 2) their mission: “organize the world’s information and make it universally accessible and useful” There’s a book called The Innovator’s Dilemma: When New Technologies Cause Great Firms to Fail. I'm certainly not here to say that Google is going to fail, but the re-stating of the mission makes it clear that they view AI (and Bard) as a way to improve, supplement, and perhaps protect their search business. This is …  ( 45 min )

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Hey! Since first posting here we've got 800+ users taking almost 1,000 courses! In short, this is how the bot works: 1️⃣ Send the captain a topic - usually, one or a few words is enough 2️⃣ Get a mini-course divided into 5 chapters 3️⃣ Receive your content packed into a beautiful magazine-style sharable link Would love to know what you think! http://edwardbot.com/ submitted by /u/Itaydr [link] [comments]  ( 41 min )

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I'll just try and add some detail in case the title doesn't make sense for some. The two major options I see: You believe consciousness arises from a very complicated system of biology > cells > molecules > atoms > elements. Ultimately a mechanistic view that, metaphorically, life is complicated machinery. If not the former, then it seems the only other major option is that life is somehow endowed some supernatural or divine force that humans could never synthetically replicate. This is of course generally considered a spiritual/religious belief. So if you believe in item 1, doesn't this mean you pretty much have to believe that AI is or can have consciousness? submitted by /u/sidianmsjones [link] [comments]  ( 44 min )

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AI Seinfeld Transphobic rant - YouTube submitted by /u/Status_Signal_4083 [link] [comments]  ( 42 min )

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​ Characters as shown on https://chatfai.com/characters/ Hi everyone! I have recently made some exciting changes to my ChatFAI web app. The public characters library is now live - it's now easy to share and install public characters. Added a regenerate reply option. Created a new plan without any daily limit. I have gotten a lot of help and support from this community. The feedback and support from you all are really helpful and that is how I am improving ChatFAI (based on the feedback and suggestions). So, here I am again. What do you think about the latest updates? Is it going in the right direction? Another challenge I have not resolved yet is finding B2B use cases for ChatFAI. Thank you for your help and support - it's greatly appreciated! submitted by /u/usamaejazch [link] [comments]  ( 42 min )

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Hi, I'm relatively new to the field of RL but with strong experience in DL, I'm currently studying the Sutton & Barto book, and more specifically TD(0) method. At some point the discuss a "windy" gridworld example, in that we have the normal gridworld setup, but there is an upward wind on some tiles that may move the agent upwards as many squares as indicated in the bottom of each column. Here is a schematic of the setup: Windy Gridworld example from Sutton Barto book If you perform an action that would lead to the agent falling of the grid, the agent remains at the state it was. E.G. if the agent is in the top-left square and performs the action `up`, they will remain at the top-left square. They essentially use this to present SARSA, but then they mention the following for MC methods: Note that Monte Carlo methods cannot easily be used here because termination is not guaranteed for all policies. If a policy was ever found that caused the agent to stay in the same state, then the next episode would never end. This strikes me quite as odd. Does this mean that I cannot (or that it's not safe to) use MC methods in any problem where it's possible to do a transition from a state that will result in the agent remaining in the same state? The first thing that comes to mind is the normal gridworld example (i.e. w/out any wind), does this restriction that they mention here mean that MC is not safe to use? submitted by /u/dep0 [link] [comments]  ( 42 min )

Hello everyone. I am considering making a reinforcement learning library for the most recent version of League of Legends based on discussions on an existing library here. Would there be any interest in an RL library for League of Legends? The interface would work like the following: ```python import tlol.gym as leaguegym env = leaguegym.make() while True: obs = env.reset() done = False while not done: #Here we sample a random action. If you have an agent, you would get an action from it here. action = env.action_space.sample() next_obs, reward, done, gameinfo = env.step(action) obs = next_obs ``` If you look at my previous posts, I have already created an RL environment for League of Legends v4.20 where other people have also taken the project and successfully trained agents which learn adversarially against each other here. I've also released many gameplay datasets for League of Legends during Season 12 here also for supervised learning and RL. At the moment tlol-py contains an interface for ML models to play League of Legends but I'm considering creating a purpose built library for RL for League of Legends. Would there be interest in a project like this? submitted by /u/Ok-Alps-7918 [link] [comments]  ( 42 min )

Hi all, assuming the task is opening the door with a robot, as far as I understand the sim2real problem happens as the robot behaves differently in the real world as the physics in the simulator (where the agent is trained) are not 100% identical in the real world. From my understanding the sim2real problem occurs if we let the agent also handle this controller part. But why cant we just extract the trajectory of the manipulator that the agent generates to open the door and executes it with the controller from the real world? Am I missing something here? submitted by /u/Fun-Moose-3841 [link] [comments]  ( 43 min )

Is it possible that, in a multi-agent environment, the return values for reward, terminated, and truncated of a .step(actions) method call have different values for each agent? If so, is there an example environment? submitted by /u/Toni-SM [link] [comments]  ( 41 min )

So, after months of learning about RL and doing toy implentations, I have coded a DQN, with experience buffer and dual nets. The network design is like the most average thing you can come across in ML scene. A simple deep feed forward with Relu and Linear as activation functions. I have also coded a simplified version of the Forex market for my agent to train in. It has bid ask prices, leverage, call margin, and buy/sell/not-in-the-market positions. The whole given state to the model is nothing fancy. It is merely the historical, model's balance and a few binary indictors about the environment. Since I'm cripplingly poor, I don't have any specialized hardware for training the model. After burning like 100 hours into the free version of Google collab with three different learning rates I…  ( 46 min )

I have made a Stack Overflow post here. I will highly appreciate all your help on this. Thank you! submitted by /u/Academic-Rent7800 [link] [comments]  ( 42 min )

I have seen some blog posts and papers about using RL for financial trading. I have to be hones, I didn't read that stuff in details. However the main idea seems kind of clear: you can model the market as a MDP where the state space encodes the relevant features of the market and your current portfolio, the possible actions are what/how much to sell/buy and the reward function should express the value change of your portfolio. However I am a bit puzzled. Clearly your actions as a trader do not really affect the market that much meaning that the transition function (probability distribution for the next state) does not depend on your action (excluding the changes in your portfolio). Why would RL provide any advantages over more classical approaches? I might miss something, but maybe formalizing the trading problem as a (contextual) multi-armed bandit seems more reasonable to me. submitted by /u/AdministrativeBank48 [link] [comments]  ( 48 min )

Hello everyone. I am considering making a reinforcement learning library for the most recent version of League of Legends based on discussions on an existing library here. Would there be any interest in an RL library for League of Legends? The interface would work like the following: ```python import tlol.gym as leaguegym env = leaguegym.make() while True: obs = env.reset() done = False while not done: #Here we sample a random action. If you have an agent, you would get an action from it here. action = env.action_space.sample() next_obs, reward, done, gameinfo = env.step(action) obs = next_obs ``` If you look at my previous posts, I have already created an RL environment for League of Legends v4.20 where other people have also taken the project and successfully trained agents which learn adversarially against each other here. I've also released many gameplay datasets for League of Legends during Season 12 here also for supervised learning and RL. At the moment tlol-py contains an interface for ML models to play League of Legends but I'm considering creating a purpose built library for RL for League of Legends. Would there be interest in a project like this? submitted by /u/Ok-Alps-7918 [link] [comments]  ( 43 min )

Hi, I'm working on a project, where we're to classify a user into High or Low Income. The dataset contains 9000+ features and the number of observations/rows are, 30000 representing household. The features include the media consumption habits of people. Hourly, Weekly, Monthly and Yearly for different TV channels. So far I have tried SVC, Random Forest and Logistic Regression. I used an ensemble of these three. However, I haven't been able to get past 63% accuracy. I tried PCA, however, the results range b/w 61-63% accuracy, recall and precision. I do wanna add that the data is already scaled between 0-1 and most of the columns are sparse (0 values for many rows). Honestly, I have tried pretty much everything, but can't seem to raise the evaluation metrics. Can someone direct me to the right path on what I can do to improve the scores? submitted by /u/Toko_yami [link] [comments]  ( 43 min )

So, after months of learning about RL and doing toy implentations, I have coded a DQN, with experience buffer and dual nets. The network design is like the most average thing you can come across in ML scene. A simple deep feed forward with Relu and Linear as activation functions. I have also coded a simplified version of the Forex market for my agent to train in. It has bid ask prices, leverage, call margin, and buy/sell/not-in-the-market positions. The whole given state to the model is nothing fancy. It is merely the historical, model's balance and a few binary indictors about the environment. Since I'm cripplingly poor, I don't have any specialized hardware for training the model. After burning like 100 hours into the free version of Google collab with three different learning rates I…  ( 45 min )

It took me about 46 hours to run this on my 3080 at home. The original files was from the Blu-ray release that was unfortunately pretty poorly done in my opinion. This version really gives it new life I think. Here's a link to the video result to see for yourself: https://vimeo.com/796411232 And a link to the model I used! https://github.com/TencentARC/AnimeSR submitted by /u/VR_Angel [link] [comments]  ( 43 min )

I have had minimal luck finding documentation on creating or using a premade string generator. It can't be a text generator really... because I am building it for translation from one language to another. I want to teach the generator to produce guesses on what the best translation for a single word would be based on underlying language semantics. I don't need it to be accurate necessarily, just a point-of-reference for observing language and phonetic mechanics. submitted by /u/lullaby876 [link] [comments]  ( 42 min )

I have a problem that if I solve it with ML, I'll make money, with an outside chance of it being a lot of money. Compiling a dataset will take significant work. Are there any techniques that I can apply to let me know if this is going to be worth it? Perhaps there are certain hallmarks that a problem would have if it is likely to be solvable with available data? Maybe something I can do with a small initial dataset? Thanks. submitted by /u/SnuggleWuggleSleep [link] [comments]  ( 43 min )

https://blog.google/technology/ai/bard-google-ai-search-updates/ submitted by /u/EducationalCicada [link] [comments]  ( 50 min )

From the article: Getty Images has filed a lawsuit in the US against Stability AI, creators of open-source AI art generator Stable Diffusion, escalating its legal battle against the firm. The stock photography company is accusing Stability AI of “brazen infringement of Getty Images’ intellectual property on a staggering scale.” It claims that Stability AI copied more than 12 million images from its database “without permission ... or compensation ... as part of its efforts to build a competing business,” and that the startup has infringed on both the company’s copyright and trademark protections. This is different from the UK-based news from weeks ago. submitted by /u/Wiskkey [link] [comments]  ( 44 min )

Physical world we live in has 4 dimensions, string theory posits like up to 10. It seems like in order to successfully model the abstract space of ideas which relates things in the physical world to each other and describes them, machine learning needs thousands of dimensions. Also to the extent that ML algos/matrices can be made sparse, that seems to me to tell us something about the density of the mapping between abstract space and physical space... anyone know any papers w/this line of thinking? It also seems a bit unintuitive to me because it seems like geometrically space gets exponentially more complicated as you add dimensions but ML scales linearly or better in many cases with matrix dimensionality. submitted by /u/Frumpagumpus [link] [comments]  ( 44 min )

Hi all! For the longest time, I was having issues understanding how to use time series to do forecasting. Over the last few weeks, I have been writing a series of posts to guide anyone through the process! I am also in the process of writing a detailed practical guide with step-by-step instructions. ​ Right now I have 6 articles on the topic: * Introduction to ARIMA models (https://mlpills.dev/time-series/introduction-to-arima-models/) * Parameters selection in ARIMA models (https://mlpills.dev/time-series/parameters-selection-in-arima-models/) * Seasonal ARIMA (https://mlpills.dev/time-series/seasonal-arima/) * ARCH / GARCH models for Time Series (https://mlpills.dev/time-series/arch-garch-models-for-time-series/) * ARIMA-GARCH models (https://mlpills.dev/time-series/arima-garch-models/) * And today's -> Forecasting in Time Series (https://mlpills.dev/time-series/forecasting-in-time-series/) Let me know if there are any topics that you would like me to cover in the future! submitted by /u/daansan-ml [link] [comments]  ( 43 min )

Machine LearningModels when deployed in the production environment, model degradation can arise where their output will change if the relationship between the incoming serving data and the predicted target drifts apart. Please can someone briefly elaborate on what strategies, frameworks and application tools can be implemented to automatically monitor the health of the model and alert the Data Scientist of any decay in data quality, data drift, and model quality? submitted by /u/astronaut1971 [link] [comments]  ( 42 min )

I made an image captioning and clustering tools for computer vision and diffusion projects. You can run almost everything automatically and with a simple CLI command. All contributions are welcome. https://github.com/cobanov/image-clustering https://github.com/cobanov/image-captioning submitted by /u/metover [link] [comments]  ( 42 min )

I haven’t been able to find research on deep learning using high-speed cameras that capture images at frame rates higher than 250fps. I wonder if they are rather useless for image/video processing or do any of you have any ideas about potential applications. submitted by /u/A15L [link] [comments]  ( 44 min )

Deep connections discovered between Graph Diffusion Networks and Partial Differential Equations modelling heat transfer. https://towardsdatascience.com/graph-neural-networks-as-neural-diffusion-pdes-8571b8c0c774 https://arxiv.org/abs/2106.10934 Strange connections uncovered between GNNs and Structural Causal Models. https://arxiv.org/abs/2109.04173 https://www.youtube.com/watch?v=XC-Bfg3dO0I GNNs used to enhance the factualness of LLMs by providing embeddings from Knowledge Graphs (KEs). https://direct.mit.edu/tacl/article/doi/10.1162/tacl_a_00360/98089 GNNs used to categorize objects from only their 3D mesh. https://arxiv.org/pdf/2106.15778.pdf Prediction of intuitive physics among physical objects. https://proceedings.neurips.cc/paper/2016/hash/3147da8ab4a0437c15ef51a5cc7f2dc4-Abstract.html Zero-shot generalization in robot Task Planning. https://arxiv.org/abs/2102.13177 https://www.youtube.com/watch?v=POxaTDAj7aY submitted by /u/moschles [link] [comments]  ( 42 min )

Paper : https://arxiv.org/abs/2302.01339 Abstract : Can large language models be trained to produce philosophical texts that are difficult to distinguish from texts produced by human philosophers? To address this question, we fine-tuned OpenAI's GPT-3 with the works of philosopher Daniel C. Dennett as additional training data. To explore the Dennett model, we asked the real Dennett ten philosophical questions and then posed the same questions to the language model, collecting four responses for each question without cherry-picking. We recruited 425 participants to distinguish Dennett's answer from the four machine-generated answers. Experts on Dennett's work (N = 25) succeeded 51% of the time, above the chance rate of 20% but short of our hypothesized rate of 80% correct. For two of the ten questions, the language model produced at least one answer that experts selected more frequently than Dennett's own answer. Philosophy blog readers (N = 302) performed similarly to the experts, while ordinary research participants (N = 98) were near chance distinguishing GPT-3's responses from those of an "actual human philosopher". submitted by /u/starstruckmon [link] [comments]  ( 44 min )

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Hello what's the state of modern RNNs, why does S4 not use nonlinearity on the state vector? What happened to unitary RNN or independent RNN (which sounds like exponential moving average)? submitted by /u/windoze [link] [comments]  ( 42 min )

A new tool brings the benefits of AI programming to a much broader class of problems.  ( 8 min )

This blog post is co-written with Bruno Mateus, Jonathan Diedrich and Crispim Tribuna at Talkdesk. Contact centers are using artificial intelligence (AI) and natural language processing (NLP) technologies to build a personalized customer experience and deliver effective self-service support through conversational bots. This is the first of a two-part series dedicated to the integration of […]  ( 8 min )

Researchers continue to develop new model architectures for common machine learning (ML) tasks. One such task is image classification, where images are accepted as input and the model attempts to classify the image as a whole with object label outputs. With many models available today that perform this image classification task, an ML practitioner may […]  ( 11 min )

I wrote my first neural network implementation following a tutorial. I was amazed that it was less than 140 lines of code. A thought occurred to me and I brought it to chatgpt first, but I'd like some human input from people who know better. I'm wondering what the pros and cons would be for having a network where the hidden layer chooses an activation function when it is initialized that may be different per node. Chatgpt was polite in its responses but it seems very clear that this is a bad idea for most common goals with a neural network. I'm making little creatures that just kind of exist, adding more inputs and outputs as I think of them. So I wondered recently \1. Would there be any benefit from 1 node using a sigmoid and another node using relu? \2. I know it would really screw up the network, but what would happen if I also had a small chance for the activation function to change in a node when creating the next generation? It's baby's first simulation where the best nodes survive to make a new generation. Since I'm using a sort of evolution model I'm not worried about "bad" training results or overly complicated brains, the 2 points chatgpt kept stressing no matter how I asked it. Does anyone have some thoughts they can share on this? It's possible that the question is hard to answer because it's so stupid / pointless for what a neural network would be used for. I get that impression from stack overflow answers to similar questions, hah. I don't have a goal, I just want to watch the little critters exist and struggle. submitted by /u/Tomnnn [link] [comments]  ( 44 min )

Hi. I don’t know if it is a good place to ask this question but i have to make a project for my uni and i am a bit confused. The topic is „creating fake avatar”. I need to create a fake person based on other people images and make it „alive”. By alive I mean that i can create many pictures of this person in different situations. I know i need to use GAN but I just can’t get my head around on how to do it. I mean. First i need a neural network to create a fake person. But how to use this fake person to create different scenarios? Thank you for any help in advance. submitted by /u/Acrobatic_Ad6507 [link] [comments]  ( 42 min )

“I’ll tell you the problem with the scientific power that you’re using here: it didn’t require any discipline to attain it. You read what others had done and you took the next step. You didn’t earn the knowledge for yourselves, so you don’t take any responsibility for it. You stood on the shoulders of geniuses… Read More »It’s No Big Deal, but ChatGPT Changes Everything – Part III The post It’s No Big Deal, but ChatGPT Changes Everything – Part III appeared first on Data Science Central.  ( 24 min )

Flutter is a free, open-source mobile user interface (UI) framework that Google developed in 2017. It allows users to create native mobile applications using a single codebase. Using a single codebase and one programming language, users can develop apps for two different platforms, Android and iOS. It’s considered the most effective cross-platform framework available. Flutter… Read More »Guide to Best Flutter State Management Libraries for 2023 The post Guide to Best Flutter State Management Libraries for 2023 appeared first on Data Science Central.  ( 21 min )

Just a few days ago, January 28, we celebrated Data Protection Day, an international event aimed at promoting data privacy and security. In line with the goal of raising awareness about data protection, it would be a good time to discuss data security with Realtime Operating System. This unconventional operating system is widely used, so… Read More »Ensuring Data Security in Realtime Operating System (RTOS) Devices The post Ensuring Data Security in Realtime Operating System (RTOS) Devices appeared first on Data Science Central.  ( 21 min )

A University of Toronto undergrad among an international team of researchers unleashing deep learning in the search for extraterrestrial civilizations.  ( 6 min )

Is there a good overview of the state of chatbot research? I'm wondering if the ChatGPT approach of big LLM + RLHF is now considered the only way forward? How about alternatives like BlenderBot3? And what are the best open source chatbots right now? Or if you can't create your own ChatGPT, how does using a GPT3 sized model + prompt engineering compare to smaller models with supervised fine tuning on a conversation dataset? submitted by /u/renbid [link] [comments]  ( 42 min )

I wanted to discuss the possibilities to use LLM in generating answer based on the context and resolving conflict. Some recent work leveraging LLM in robotics planning, like Language Models as Zero-Shot Planner use LLM to generate plans for robot. What are your views in terms of LLM which leverage the background knowledge and visual clues together to generate correct next action by robots or embodied systems. As a human we decide actions based on resolving priority or conflict based on rules/ concepts , can LLM takes these rules /concept explicitly in decision making to generate new set of actions? Example: while chopping the veggies by robots, if hand comes in between then robot will stop the chopping process of veggies. As chopping task and human hand presence are in conflict and humans hand safety is of higher priority than cutting. How such small-small kind of knowledge be encoded in these robotics system which makes them more safer and trustworthy in general. As LLM requires larges corpus of knowledge/data. submitted by /u/projekt_treadstone [link] [comments]  ( 43 min )

I find it odd that I have to regenerate this from my input set each time. It should be something we can just start with pre-created. submitted by /u/MrOfficialCandy [link] [comments]  ( 42 min )

While the greatest amount of training content is available for English at the moment, it seems unlikely to me that it's an efficient language to train AI. A more optimal language would reduce training time and model size. It might, for example, be much more efficient to train AI on Chinese, Korean, or Japanese due to a reduce grammatical token-set when constructing sentences/ideas. But taking the idea further, I wonder if we should be using a human language at all. Perhaps it's more efficient to use something altogether new in order to both communicate with AI more exactingly and also to reduce model size/training. What do y'all think? submitted by /u/MrOfficialCandy [link] [comments]  ( 44 min )

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Hi all! Some time ago I made a post about NeuralFit (https://github.com/neural-fit/neuralfit), which allows you to evolve neural networks in 🐍 Python with just a few lines of code. Good news: it is now possible to evolve recurrent models on timeseries, which is useful for doing stock market predictions for example 📈. There is currently a simple example, but more examples will be added soon! In addition: the free limitations have been increased, so you can use NeuralFit for most hobby projects without needing a license. Just like last time, feedback is immensely appreciated! submitted by /u/wagenaartje [link] [comments]  ( 43 min )

Been struggling to find sources relating to this, it’s mostly just tech websites or blogs I keep coming across. I’m struggling to find any academic papers arguing for specifically the use of user data to create targeted ads. submitted by /u/lara_lara24 [link] [comments]  ( 43 min )

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How much do research labs or research jobs in ML hire statisticians vs computer scientists or mathematicians? submitted by /u/AdFew4357 [link] [comments]  ( 44 min )

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Hello! I'm trying to understand what available LLMs one can "relatively easily" play with. My goal is to understand the landscape since I haven't worked in this field before. I'm trying to run them "from the largest to the smallest". By "relatively easy", I mean doesn't require to setup a GPU cluster or costs more than $20:) Here are some examples I have found so far: ChatGPT (obviously) - 175B params OpenAI api to access GPT-3s (from ada (0.5B) to davinci (175B)). Also CodeX Bloom (176B) - text window on that page seems to work reliably, you just need to keep pressing "generate" OPT-175B (Facebook LLM), the hosting works surprisingly fast, but slower than ChatGPT Several models on HuggingFace that I made to run with Colab Pro subscription: GPT-NeoX 20B, Flan-t5-xxl 11B, Xlm-roberta-xxl 10.7B, GPT-j 6B. I spent about $20 total on running the models below. None of the Hugging face API interfaces/spaces didn't work for me :(. Here is an example notebook I made for NeoX. Does anyone know more models that are easily accessible? P.S. Some large models I couldn't figure out (yet) how to run easily: Galactica-120b 120B Opt-30b 30B submitted by /u/sinavski [link] [comments]  ( 44 min )

Tweet thread: https://twitter.com/WholeMarsBlog/status/1622139178439036928 First impressions: this sucks ass I can only ask about dogs and a few different types of prompts Does anyone else have experiences to share with this nerfed LaMDA beta google released? submitted by /u/That_Violinist_18 [link] [comments]  ( 44 min )

Im trying to build and train a Machine Learning model that autonomously performs color matching between the target gemstone and the Reference Standard color chart. A digital photo image of the target gemstone is first captured in a controlled environment in terms of illumination and background. This digital image is further pre-processed and fed into an algorithm that recognizes and match its color distribution to the closest color in the Reference Standard color chart. Numerous Reference Standards exist but I will use the ColorCODEX (this link ColorCODEX) So I would like to know which Machine Learning Model to use in this case to ensure high matching accuracy and like what performance metric can I use to measure matching accuracy and the color space for the color model. And at the end what image pre-processing needs to be done? I found this article (https://www.atlantis-press.com/proceedings/icosat-17/25895985)with backpropagation NN but not sure if it the best choice. Any other option? submitted by /u/astronaut1971 [link] [comments]  ( 44 min )

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[D] Hey, It's kind of a simple one but just putting it out for opinions: when passing a graph through graph neural networks to obtain vectors for all the nodes. Is the info in the node required because all we care is about the position of certain node in context to the whole graph and that's how gnn outputs the vectors of each node. Sorry if that was messy. submitted by /u/ab_11nav [link] [comments]  ( 42 min )

https://youtu.be/ktdUeqzzhiA what text to speech does he use? he's been popping up on my yt feed lately and i can see he has different voices in his videos and most of them sound robotic, what do you think it's being used here? submitted by /u/candidhorse4 [link] [comments]  ( 42 min )

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Hey all! For an art installation I want to be able to generate war news in specific countries and have a specific word used in it. For instance, a 2-3 sentence news about the war in Yemen with the word "love" in it. Any AI platforms you can suggest? submitted by /u/jarjar_bigh [link] [comments]  ( 41 min )

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https://voice.ai/r/AfpKl. This web can create very good quality AI voices. They have majorly famous people voices. For using this voices you only need to write something and then the AI will say it with the voice you choose. submitted by /u/Marcosio9083 [link] [comments]  ( 41 min )

There have been already some ai developers teamed up with big firms to create AI for virtual clothing try-on even few years ago, but considering lastest models can generate images of very realistic human (including garments on them) from nothing I suppose there must be practical ones that can generate better quality try-on image given a series of photos of a model and clothes to put on. Do you know any such models? submitted by /u/PMATHbreaker [link] [comments]  ( 41 min )

Imagine a type of user that is a senior manager, they do not have an analysis background. What i'd like is for them to be able to tell a dashboard "what happened to our customer reviews last week?" and a text summary is generated and parameters to charts sent out, and charts generated I'm exploring the aspect of cost here I read Azure's OpenAI marketing and see: > Azure OpenAI Service is enabling customers across industries from health care to financial services to manufacturing to quickly perform an array of tasks. Innovations include generating unique content for customers, summarizing and classifying customer feedback, and extracting text from medical records to streamline billing. The most common uses have been writing assistance, translating natural language to code and gaining data insights through search, entity extraction, sentiment and classification. Great But the pricing looks expensive for Base Series Fine-tuned, Curie: > Inferencing per 1,000 tokens | $0.002 > Hosting per hour | $0.24 and so i'd need to think about some caching intermediary stage to prevent too many calls to the Azure OpenAI API So is using Azure here for an ai based solution cost effective for a small business? submitted by /u/Work_Owl [link] [comments]  ( 42 min )

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Starting a career in AI Hello folks, I’m a Product Manager with 10 years of experience in B2C mobile apps. I love mobile apps and I’m really passionate about user experience. However, I lately started using various AI products and I’m really impressed. Since I believe it the future I was thinking if it’s possible to start learning the basics and even make a career change in AI development (as soon as I learn what fields exist). I have studied computer science and I’m familiar with software development. Any idea/recommendations where to start from and what a possible career path would be? Thanks submitted by /u/EquivalentMongoose95 [link] [comments]  ( 42 min )

How can we move from an idea to production in AI? Does the technology readiness levels (TRL) help? If you want to get some answers please read this article in medium: https://medium.com/towards-artificial-intelligence/technology-readiness-levels-trl-in-ai-development-c6ed1190fbd6 All the ideas are more than welcome! submitted by /u/Nice-Tomorrow2926 [link] [comments]  ( 40 min )

I am looking for a free voice cloning app or website (Like elevenlabs, but I would need a quota bypass for that) and I can't find any. Any suggestions? submitted by /u/1sydxyz [link] [comments]  ( 40 min )

I am searching for an image and I need to find where the image comes from and it can be anywhere on the web or as a part of video as whole so is there an AI you can give a name , the said picture, photo, sentence or a specific data to find the exact photo in a random youtube video, the same name on some old site or inclusion of A photo I have on another site where it may have originated. An Ai that will scan the entire youtube , watch every vid and then list all the instances where the image was used. submitted by /u/Plajomzn [link] [comments]  ( 42 min )

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Hi guys, I have made a video on YouTube here where I explain why underfitting and overfitting happen in machine learning models by looking at the fundamental theory behind bias variance trade-off. I hope it may be of use to some of you out there. As always, feedback is more than welcomed! :) submitted by /u/Personal-Trainer-541 [link] [comments]  ( 41 min )

https://buddingmanager.com/2023/01/26/https-buddingmanager-com-artificialintelligenceinbusiness/ submitted by /u/OriginalRecklessPark [link] [comments]  ( 40 min )

submitted by /u/DrMelbourne [link] [comments]  ( 43 min )

Hi all, For my weekend project I figured I would build an AI driven spiritual successor to Mystery Science Theater 3000... Stop on by and watch the AI characters watch movies and make comments! Today they are watching "The House on Haunted Hill" and "Plan 9 From Outer Space." There's still a lot to do but I'm excited to play around with this more and see how it plays out and would love some feedback! https://twitch.tv/MysteryAItheater submitted by /u/caseigl [link] [comments]  ( 42 min )

I'm trying to put together pictures of my best friend (he unfortunately passed away) and myself together. We don't have any pictures of us together since our childhood /teen days. I would like to put our individually taken pics together using AI. Can someone recommend any tools? submitted by /u/mustufa2020 [link] [comments]  ( 41 min )

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Hi all, assuming the goal is to reach a ball on the table. The reward function used for this task is often: d= norm( gripper_position - ball_position ) , which will solve the problem. However, how can one teach the agent not to "directly" go to the ball, but creating a search pattern, for example, "scratching the surface with the gripper until you find the ball"? submitted by /u/Fun-Moose-3841 [link] [comments]  ( 43 min )

submitted by /u/shani_786 [link] [comments]  ( 41 min )

We give an improved theoretical analysis of score-based generative modeling. Under a score estimate with small $L^2$ error (averaged across timesteps), we provide efficient convergence guarantees for any data distribution with second-order moment, by either employing early stopping or assuming smoothness condition on the score function of the data distribution. Our result does not rely on any log-concavity or functional inequality assumption and has a logarithmic dependence on the smoothness. In particular, we show that under only a finite second moment condition, approximating the following in reverse KL divergence in $\epsilon$-accuracy can be done in $\tilde O\left(\frac{d \log (1/\delta)}{\epsilon}\right)$ steps: 1) the variance-$\delta$ Gaussian perturbation of any data distribution; 2) data distributions with $1/\delta$-smooth score functions. Our analysis also provides a quantitative comparison between different discrete approximations and may guide the choice of discretization points in practice.

Learning underlying dynamics from data is important and challenging in many real-world scenarios. Incorporating differential equations (DEs) to design continuous networks has drawn much attention recently, however, most prior works make specific assumptions on the type of DEs, making the model specialized for particular problems. This work presents a partial differential equation (PDE) based framework which improves the dynamics modeling capability. Building upon the recent Fourier neural operator, we propose a neural operator that can handle time continuously without requiring iterative operations or specific grids of temporal discretization. A theoretical result demonstrating its universality is provided. We also uncover an intrinsic property of neural operators that improves data efficiency and model generalization by ensuring stability. Our model achieves superior accuracy in dealing with time-dependent PDEs compared to existing models. Furthermore, several numerical pieces of evidence validate that our method better represents a wide range of dynamics and outperforms state-of-the-art DE-based models in real-time-series applications. Our framework opens up a new way for a continuous representation of neural networks that can be readily adopted for real-world applications.

Probabilistic dynamics model ensemble is widely used in existing model-based reinforcement learning methods as it outperforms a single dynamics model in both asymptotic performance and sample efficiency. In this paper, we provide both practical and theoretical insights on the empirical success of the probabilistic dynamics model ensemble through the lens of Lipschitz continuity. We find that, for a value function, the stronger the Lipschitz condition is, the smaller the gap between the true dynamics- and learned dynamics-induced Bellman operators is, thus enabling the converged value function to be closer to the optimal value function. Hence, we hypothesize that the key functionality of the probabilistic dynamics model ensemble is to regularize the Lipschitz condition of the value function using generated samples. To test this hypothesis, we devise two practical robust training mechanisms through computing the adversarial noise and regularizing the value network's spectral norm to directly regularize the Lipschitz condition of the value functions. Empirical results show that combined with our mechanisms, model-based RL algorithms with a single dynamics model outperform those with an ensemble of probabilistic dynamics models. These findings not only support the theoretical insight, but also provide a practical solution for developing computationally efficient model-based RL algorithms.

Voice assistants overhear conversations and a consent management mechanism is required. Consent management can be implemented using speaker recognition. Users that do not give consent enrol their voice and all their further recordings are discarded. Building speaker recognition-based consent management is challenging as dynamic registration, removal, and re-registration of speakers must be efficiently handled. This work proposes a consent management system addressing the aforementioned challenges. A contrastive based training is applied to learn the underlying speaker equivariance inductive bias. The contrastive features for buckets of speakers are trained a few steps into each iteration and act as replay buffers. These features are progressively selected using a multi-strided random sampler for classification. Moreover, new methods for dynamic registration using a portion of old utterances, removal, and re-registration of speakers are proposed. The results verify memory efficiency and dynamic capabilities of the proposed methods and outperform the existing approach from the literature.

Model-based reinforcement learning (RL) often achieves higher sample efficiency in practice than model-free RL by learning a dynamics model to generate samples for policy learning. Previous works learn a dynamics model that fits under the empirical state-action visitation distribution for all historical policies, i.e., the sample replay buffer. However, in this paper, we observe that fitting the dynamics model under the distribution for \emph{all historical policies} does not necessarily benefit model prediction for the \emph{current policy} since the policy in use is constantly evolving over time. The evolving policy during training will cause state-action visitation distribution shifts. We theoretically analyze how this distribution shift over historical policies affects the model learning and model rollouts. We then propose a novel dynamics model learning method, named \textit{Policy-adapted Dynamics Model Learning (PDML)}. PDML dynamically adjusts the historical policy mixture distribution to ensure the learned model can continually adapt to the state-action visitation distribution of the evolving policy. Experiments on a range of continuous control environments in MuJoCo show that PDML achieves significant improvement in sample efficiency and higher asymptotic performance combined with the state-of-the-art model-based RL methods.

The use of data-driven decision support by public agencies is becoming more widespread and already influences the allocation of public resources. This raises ethical concerns, as it has adversely affected minorities and historically discriminated groups. In this paper, we use an approach that combines statistics and data-driven approaches with dynamical modeling to assess long-term fairness effects of labor market interventions. Specifically, we develop and use a model to investigate the impact of decisions caused by a public employment authority that selectively supports job-seekers through targeted help. The selection of who receives what help is based on a data-driven intervention model that estimates an individual's chances of finding a job in a timely manner and rests upon data that describes a population in which skills relevant to the labor market are unevenly distributed between two groups (e.g., males and females). The intervention model has incomplete access to the individual's actual skills and can augment this with knowledge of the individual's group affiliation, thus using a protected attribute to increase predictive accuracy. We assess this intervention model's dynamics -- especially fairness-related issues and trade-offs between different fairness goals -- over time and compare it to an intervention model that does not use group affiliation as a predictive feature. We conclude that in order to quantify the trade-off correctly and to assess the long-term fairness effects of such a system in the real-world, careful modeling of the surrounding labor market is indispensable.

Recent results on optimization and generalization properties of neural networks showed that in a simple two-layer network, the alignment of the labels to the eigenvectors of the corresponding Gram matrix determines the convergence of the optimization during training. Such analyses also provide upper bounds on the generalization error. We experimentally investigate the implications of these results to deeper networks via embeddings. We regard the layers preceding the final hidden layer as producing different representations of the input data which are then fed to the two-layer model. We show that these representations improve both optimization and generalization. In particular, we investigate three kernel representations when fed to the final hidden layer: the Gaussian kernel and its approximation by random Fourier features, kernels designed to imitate representations produced by neural networks and finally an optimal kernel designed to align the data with target labels. The approximated representations induced by these kernels are fed to the neural network and the optimization and generalization properties of the final model are evaluated and compared.

Ensemble models in E-commerce combine predictions from multiple sub-models for ranking and revenue improvement. Industrial ensemble models are typically deep neural networks, following the supervised learning paradigm to infer conversion rate given inputs from sub-models. However, this process has the following two problems. Firstly, the point-wise scoring approach disregards the relationships between items and leads to homogeneous displayed results, while diversified display benefits user experience and revenue. Secondly, the learning paradigm focuses on the ranking metrics and does not directly optimize the revenue. In our work, we propose a new Learning-To-Ensemble (LTE) framework RAEGO, which replaces the ensemble model with a contextual Rank Aggregator (RA) and explores the best weights of sub-models by the Evaluator-Generator Optimization (EGO). To achieve the best online performance, we propose a new rank aggregation algorithm TournamentGreedy as a refinement of classic rank aggregators, which also produces the best average weighted Kendall Tau Distance (KTD) amongst all the considered algorithms with quadratic time complexity. Under the assumption that the best output list should be Pareto Optimal on the KTD metric for sub-models, we show that our RA algorithm has higher efficiency and coverage in exploring the optimal weights. Combined with the idea of Bayesian Optimization and gradient descent, we solve the online contextual Black-Box Optimization task that finds the optimal weights for sub-models given a chosen RA model. RA-EGO has been deployed in our online system and has improved the revenue significantly.

The problem of how to genetically modify cells in order to maximize a certain cellular phenotype has taken center stage in drug development over the last few years (with, for example, genetically edited CAR-T, CAR-NK, and CAR-NKT cells entering cancer clinical trials). Exhausting the search space for all possible genetic edits (perturbations) or combinations thereof is infeasible due to cost and experimental limitations. This work provides a theoretically sound framework for iteratively exploring the space of perturbations in pooled batches in order to maximize a target phenotype under an experimental budget. Inspired by this application domain, we study the problem of batch query bandit optimization and introduce the Optimistic Arm Elimination ($\mathrm{OAE}$) principle designed to find an almost optimal arm under different functional relationships between the queries (arms) and the outputs (rewards). We analyze the convergence properties of $\mathrm{OAE}$ by relating it to the Eluder dimension of the algorithm's function class and validate that $\mathrm{OAE}$ outperforms other strategies in finding optimal actions in experiments on simulated problems, public datasets well-studied in bandit contexts, and in genetic perturbation datasets when the regression model is a deep neural network. OAE also outperforms the benchmark algorithms in 3 of 4 datasets in the GeneDisco experimental planning challenge.

Current abstractive summarization models either suffer from a lack of clear interpretability or provide incomplete rationales by only highlighting parts of the source document. To this end, we propose the Summarization Program (SP), an interpretable modular framework consisting of an (ordered) list of binary trees, each encoding the step-by-step generative process of an abstractive summary sentence from the source document. A Summarization Program contains one root node per summary sentence, and a distinct tree connects each summary sentence (root node) to the document sentences (leaf nodes) from which it is derived, with the connecting nodes containing intermediate generated sentences. Edges represent different modular operations involved in summarization such as sentence fusion, compression, and paraphrasing. We first propose an efficient best-first search method over neural modules, SP-Search that identifies SPs for human summaries by directly optimizing for ROUGE scores. Next, using these programs as automatic supervision, we propose seq2seq models that generate Summarization Programs, which are then executed to obtain final summaries. We demonstrate that SP-Search effectively represents the generative process behind human summaries using modules that are typically faithful to their intended behavior. We also conduct a simulation study to show that Summarization Programs improve the interpretability of summarization models by allowing humans to better simulate model reasoning. Summarization Programs constitute a promising step toward interpretable and modular abstractive summarization, a complex task previously addressed primarily through blackbox end-to-end neural systems. Supporting code available at https://github.com/swarnaHub/SummarizationPrograms

Federated learning aims to train models collaboratively across different clients without the sharing of data for privacy considerations. However, one major challenge for this learning paradigm is the {\em data heterogeneity} problem, which refers to the discrepancies between the local data distributions among various clients. To tackle this problem, we first study how data heterogeneity affects the representations of the globally aggregated models. Interestingly, we find that heterogeneous data results in the global model suffering from severe {\em dimensional collapse}, in which representations tend to reside in a lower-dimensional space instead of the ambient space. Moreover, we observe a similar phenomenon on models locally trained on each client and deduce that the dimensional collapse on the global model is inherited from local models. In addition, we theoretically analyze the gradient flow dynamics to shed light on how data heterogeneity result in dimensional collapse for local models. To remedy this problem caused by the data heterogeneity, we propose {\sc FedDecorr}, a novel method that can effectively mitigate dimensional collapse in federated learning. Specifically, {\sc FedDecorr} applies a regularization term during local training that encourages different dimensions of representations to be uncorrelated. {\sc FedDecorr}, which is implementation-friendly and computationally-efficient, yields consistent improvements over baselines on standard benchmark datasets. Code: https://github.com/Yujun-Shi/FedCLS.

Off-policy evaluation (OPE) is a method for estimating the return of a target policy using some pre-collected observational data generated by a potentially different behavior policy. In some cases, there may be unmeasured variables that can confound the action-reward or action-next-state relationships, rendering many existing OPE approaches ineffective. This paper develops an instrumental variable (IV)-based method for consistent OPE in confounded Markov decision processes (MDPs). Similar to single-stage decision making, we show that IV enables us to correctly identify the target policy's value in infinite horizon settings as well. Furthermore, we propose an efficient and robust value estimator and illustrate its effectiveness through extensive simulations and analysis of real data from a world-leading short-video platform.

Knowledge transfer is shown to be a very successful technique for training neural classifiers: together with the ground truth data, it uses the "privileged information" (PI) obtained by a "teacher" network to train a "student" network. It has been observed that classifiers learn much faster and more reliably via knowledge transfer. However, there has been little or no theoretical analysis of this phenomenon. To bridge this gap, we propose to approach the problem of knowledge transfer by regularizing the fit between the teacher and the student with PI provided by the teacher. Using tools from dynamical systems theory, we show that when the student is an extremely wide two layer network, we can analyze it in the kernel regime and show that it is able to interpolate between PI and the given data. This characterization sheds new light on the relation between the training error and capacity of the student relative to the teacher. Another contribution of the paper is a quantitative statement on the convergence of student network. We prove that the teacher reduces the number of required iterations for a student to learn, and consequently improves the generalization power of the student. We give corresponding experimental analysis that validates the theoretical results and yield additional insights.

In this paper, we ask whether Vision Transformers (ViTs) can serve as an underlying architecture for improving the adversarial robustness of machine learning models against evasion attacks. While earlier works have focused on improving Convolutional Neural Networks, we show that also ViTs are highly suitable for adversarial training to achieve competitive performance. We achieve this objective using a custom adversarial training recipe, discovered using rigorous ablation studies on a subset of the ImageNet dataset. The canonical training recipe for ViTs recommends strong data augmentation, in part to compensate for the lack of vision inductive bias of attention modules, when compared to convolutions. We show that this recipe achieves suboptimal performance when used for adversarial training. In contrast, we find that omitting all heavy data augmentation, and adding some additional bag-of-tricks ($\varepsilon$-warmup and larger weight decay), significantly boosts the performance of robust ViTs. We show that our recipe generalizes to different classes of ViT architectures and large-scale models on full ImageNet-1k. Additionally, investigating the reasons for the robustness of our models, we show that it is easier to generate strong attacks during training when using our recipe and that this leads to better robustness at test time. Finally, we further study one consequence of adversarial training by proposing a way to quantify the semantic nature of adversarial perturbations and highlight its correlation with the robustness of the model. Overall, we recommend that the community should avoid translating the canonical training recipes in ViTs to robust training and rethink common training choices in the context of adversarial training.

Performance of machine learning models may differ between training and deployment for many reasons. For instance, model performance can change between environments due to changes in data quality, observing a different population than the one in training, or changes in the relationship between labels and features. These changes result in distribution shifts across environments. Attributing model performance changes to specific shifts is critical for identifying sources of model failures, and for taking mitigating actions that ensure robust models. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Many industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown process characteristics, real-time optimization becomes challenging, particularly for the satisfaction of safety constraints. In this paper, we demonstrate the application of an adaptive and explorative real-time optimization framework to an industrial refrigeration process, where we learn the process characteristics through changes in process control targets and through exploration to satisfy safety constraints. We quantify the uncertainty in unknown compressor characteristics of the refrigeration plant by using Gaussian processes and incorporate this uncertainty into the objective function of the real-time optimization problem as a weighted cost term. We adaptively control the weight of this term to drive exploration. The results of our simulation experiments indicate the proposed approach can help to increase the energy efficiency of the considered refrigeration process, closely approximating the performance of a solution that has complete information about the compressor performance characteristics.

During recent years the interest of optimization and machine learning communities in high-probability convergence of stochastic optimization methods has been growing. One of the main reasons for this is that high-probability complexity bounds are more accurate and less studied than in-expectation ones. However, SOTA high-probability non-asymptotic convergence results are derived under strong assumptions such as the boundedness of the gradient noise variance or of the objective's gradient itself. In this paper, we propose several algorithms with high-probability convergence results under less restrictive assumptions. In particular, we derive new high-probability convergence results under the assumption that the gradient/operator noise has bounded central $\alpha$-th moment for $\alpha \in (1,2]$ in the following setups: (i) smooth non-convex / Polyak-Lojasiewicz / convex / strongly convex / quasi-strongly convex minimization problems, (ii) Lipschitz / star-cocoercive and monotone / quasi-strongly monotone variational inequalities. These results justify the usage of the considered methods for solving problems that do not fit standard functional classes studied in stochastic optimization.

NDCG, namely Normalized Discounted Cumulative Gain, is a widely used ranking metric in information retrieval and machine learning. However, efficient and provable stochastic methods for maximizing NDCG are still lacking, especially for deep models. In this paper, we propose a principled approach to optimize NDCG and its top-$K$ variant. First, we formulate a novel compositional optimization problem for optimizing the NDCG surrogate, and a novel bilevel compositional optimization problem for optimizing the top-$K$ NDCG surrogate. Then, we develop efficient stochastic algorithms with provable convergence guarantees for the non-convex objectives. Different from existing NDCG optimization methods, the per-iteration complexity of our algorithms scales with the mini-batch size instead of the number of total items. To improve the effectiveness for deep learning, we further propose practical strategies by using initial warm-up and stop gradient operator. Experimental results on multiple datasets demonstrate that our methods outperform prior ranking approaches in terms of NDCG. To the best of our knowledge, this is the first time that stochastic algorithms are proposed to optimize NDCG with a provable convergence guarantee. Our proposed methods are implemented in the LibAUC library at https://libauc.org/.

Future generations of mobile networks are expected to contain more and more antennas with growing complexity and more parameters. Optimizing these parameters is necessary for ensuring the good performance of the network. The scale of mobile networks makes it challenging to optimize antenna parameters using manual intervention or hand-engineered strategies. Reinforcement learning is a promising technique to address this challenge but existing methods often use local optimizations to scale to large network deployments. We propose a new multi-agent reinforcement learning algorithm to optimize mobile network configurations globally. By using a value decomposition approach, our algorithm can be trained from a global reward function instead of relying on an ad-hoc decomposition of the network performance across the different cells. The algorithm uses a graph neural network architecture which generalizes to different network topologies and learns coordination behaviors. We empirically demonstrate the performance of the algorithm on an antenna tilt tuning problem and a joint tilt and power control problem in a simulated environment.

We study the problem of robust distribution estimation under the Wasserstein metric, a popular discrepancy measure between probability distributions rooted in optimal transport (OT) theory. We introduce a new outlier-robust Wasserstein distance $\mathsf{W}_p^\varepsilon$ which allows for $\varepsilon$ outlier mass to be removed from its input distributions, and show that minimum distance estimation under $\mathsf{W}_p^\varepsilon$ achieves minimax optimal robust estimation risk. Our analysis is rooted in several new results for partial OT, including an approximate triangle inequality, which may be of independent interest. To address computational tractability, we derive a dual formulation for $\mathsf{W}_p^\varepsilon$ that adds a simple penalty term to the classic Kantorovich dual objective. As such, $\mathsf{W}_p^\varepsilon$ can be implemented via an elementary modification to standard, duality-based OT solvers. Our results are extended to sliced OT, where distributions are projected onto low-dimensional subspaces, and applications to homogeneity and independence testing are explored. We illustrate the virtues of our framework via applications to generative modeling with contaminated datasets.

Context data is in demand more than ever with the rapid increase in the development of many context-aware Internet of Things applications. Research in context and context-awareness is being conducted to broaden its applicability in light of many practical and technical challenges. One of the challenges is improving performance when responding to large number of context queries. Context Management Platforms that infer and deliver context to applications measure this problem using Quality of Service (QoS) parameters. Although caching is a proven way to improve QoS, transiency of context and features such as variability, heterogeneity of context queries pose an additional real-time cost management problem. This paper presents a critical survey of state-of-the-art in adaptive data caching with the objective of developing a body of knowledge in cost- and performance-efficient adaptive caching strategies. We comprehensively survey a large number of research publications and evaluate, compare, and contrast different techniques, policies, approaches, and schemes in adaptive caching. Our critical analysis is motivated by the focus on adaptively caching context as a core research problem. A formal definition for adaptive context caching is then proposed, followed by identified features and requirements of a well-designed, objective optimal adaptive context caching strategy.

Several recent works encourage the use of a Bayesian framework when assessing performance and fairness metrics of a classification algorithm in a supervised setting. We propose the Uncertainty Matters (UM) framework that generalizes a Beta-Binomial approach to derive the posterior distribution of any criteria combination, allowing stable performance assessment in a bias-aware setting.We suggest modeling the confusion matrix of each demographic group using a Multinomial distribution updated through a Bayesian procedure. We extend UM to be applicable under the popular K-fold cross-validation procedure. Experiments highlight the benefits of UM over classical evaluation frameworks regarding informativeness and stability.

Recent advances in Transformers have come with a huge requirement on computing resources, highlighting the importance of developing efficient training techniques to make Transformer training faster, at lower cost, and to higher accuracy by the efficient use of computation and memory resources. This survey provides the first systematic overview of the efficient training of Transformers, covering the recent progress in acceleration arithmetic and hardware, with a focus on the former. We analyze and compare methods that save computation and memory costs for intermediate tensors during training, together with techniques on hardware/algorithm co-design. We finally discuss challenges and promising areas for future research.

This paper presents new machine learning approaches to approximate the solutions of optimal stopping problems. The key idea of these methods is to use neural networks, where the parameters of the hidden layers are generated randomly and only the last layer is trained, in order to approximate the continuation value. Our approaches are applicable to high dimensional problems where the existing approaches become increasingly impractical. In addition, since our approaches can be optimized using simple linear regression, they are easy to implement and theoretical guarantees are provided. Our randomized reinforcement learning approach and randomized recurrent neural network approach outperform the state-of-the-art and other relevant machine learning approaches in Markovian and non-Markovian examples, respectively. In particular, we test our approaches on Black-Scholes, Heston, rough Heston and fractional Brownian motion. Moreover, we show that they can also be used to efficiently compute Greeks of American options.

Intelligence relies on an agent's knowledge of what it does not know. This capability can be assessed based on the quality of joint predictions of labels across multiple inputs. In principle, ensemble-based approaches produce effective joint predictions, but the computational costs of training large ensembles can become prohibitive. We introduce the epinet: an architecture that can supplement any conventional neural network, including large pretrained models, and can be trained with modest incremental computation to estimate uncertainty. With an epinet, conventional neural networks outperform very large ensembles, consisting of hundreds or more particles, with orders of magnitude less computation. The epinet does not fit the traditional framework of Bayesian neural networks. To accommodate development of approaches beyond BNNs, such as the epinet, we introduce the epistemic neural network (ENN) as an interface for models that produce joint predictions.

Fully supervised log anomaly detection methods suffer the heavy burden of annotating massive unlabeled log data. Recently, many semi-supervised methods have been proposed to reduce annotation costs with the help of parsed templates. However, these methods consider each keyword independently, which disregards the correlation between keywords and the contextual relationships among log sequences. In this paper, we propose a novel weakly supervised log anomaly detection framework, named LogLG, to explore the semantic connections among keywords from sequences. Specifically, we design an end-to-end iterative process, where the keywords of unlabeled logs are first extracted to construct a log-event graph. Then, we build a subgraph annotator to generate pseudo labels for unlabeled log sequences. To ameliorate the annotation quality, we adopt a self-supervised task to pre-train a subgraph annotator. After that, a detection model is trained with the generated pseudo labels. Conditioned on the classification results, we re-extract the keywords from the log sequences and update the log-event graph for the next iteration. Experiments on five benchmarks validate the effectiveness of LogLG for detecting anomalies on unlabeled log data and demonstrate that LogLG, as the state-of-the-art weakly supervised method, achieves significant performance improvements compared to existing methods.

Event Detection (ED) aims to identify event trigger words from a given text and classify it into an event type. Most of current methods to ED rely heavily on training instances, and almost ignore the correlation of event types. Hence, they tend to suffer from data scarcity and fail to handle new unseen event types. To address these problems, we formulate ED as a process of event ontology population: linking event instances to pre-defined event types in event ontology, and propose a novel ED framework entitled OntoED with ontology embedding. We enrich event ontology with linkages among event types, and further induce more event-event correlations. Based on the event ontology, OntoED can leverage and propagate correlation knowledge, particularly from data-rich to data-poor event types. Furthermore, OntoED can be applied to new unseen event types, by establishing linkages to existing ones. Experiments indicate that OntoED is more predominant and robust than previous approaches to ED, especially in data-scarce scenarios.

Previous work has separately addressed different forms of action, state and action-state entropy regularization, pure exploration and space occupation. These problems have become extremely relevant for regularization, generalization, speeding up learning and providing robust solutions at unprecedented levels. However, solutions of those problems are hectic, ranging from convex and non-convex optimization, and unconstrained optimization to constrained optimization. Here we provide a general dual function formalism that transforms the constrained optimization problem into an unconstrained convex one for any mixture of action and state entropies. The cases with pure action entropy and pure state entropy are understood as limits of the mixture.

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.

Post-hoc explanation methods have become a critical tool for understanding black-box classifiers in high-stakes applications, precipitating a need for reliable explanations. Nevertheless, recent works have shown that many existing methods can be inconsistent or lack robustness. In addition, high-performing classifiers are often highly nonlinear and can exhibit complex behavior around the decision boundary, leading to brittle or misleading local explanations. Therefore there is an impending need to quantify the uncertainty of such explanation methods in order to understand when explanations are trustworthy. In this work, we propose a novel geodesic-based kernel which captures the complexity of the target black-box decision boundary. We show theoretically that the proposed kernel similarity increases with the complexity of the decision boundary. In addition, we introduce the Gaussian Process Explanation UnCertainty (GPEC) framework, which generates a unified uncertainty estimate combining decision boundary-aware uncertainty with existing explanation uncertainty methods. The proposed framework is highly flexible; it can be used with any black-box classifier and feature attribution method. Empirical results on multiple tabular and image datasets show that the GPEC uncertainty estimate improves understanding of explanations as compared to existing methods.

Traditional deep learning algorithms often fail to generalize when they are tested outside of the domain of the training data. The issue can be mitigated by using unlabeled data from the target domain at training time, but because data distributions can change dynamically in real-life applications once a learned model is deployed, it is critical to create networks robust to unknown and unforeseen domain shifts. In this paper we focus on one of the reasons behind the inability of neural networks to be so: deep networks focus only on the most obvious, potentially spurious, clues to make their predictions and are blind to useful but slightly less efficient or more complex patterns. This behaviour has been identified and several methods partially addressed the issue. To investigate their effectiveness and limits, we first design a publicly available MNIST-based benchmark to precisely measure the ability of an algorithm to find the ''hidden'' patterns. Then, we evaluate state-of-the-art algorithms through our benchmark and show that the issue is largely unsolved. Finally, we propose a partially reversed contrastive loss to encourage intra-class diversity and find less strongly correlated patterns, whose efficiency is demonstrated by our experiments.

Using gradient descent (GD) with fixed or decaying step-size is a standard practice in unconstrained optimization problems. However, when the loss function is only locally convex, such a step-size schedule artificially slows GD down as it cannot explore the flat curvature of the loss function. To overcome that issue, we propose to exponentially increase the step-size of the GD algorithm. Under homogeneous assumptions on the loss function, we demonstrate that the iterates of the proposed \emph{exponential step size gradient descent} (EGD) algorithm converge linearly to the optimal solution. Leveraging that optimization insight, we then consider using the EGD algorithm for solving parameter estimation under both regular and non-regular statistical models whose loss function becomes locally convex when the sample size goes to infinity. We demonstrate that the EGD iterates reach the final statistical radius within the true parameter after a logarithmic number of iterations, which is in stark contrast to a \emph{polynomial} number of iterations of the GD algorithm in non-regular statistical models. Therefore, the total computational complexity of the EGD algorithm is \emph{optimal} and exponentially cheaper than that of the GD for solving parameter estimation in non-regular statistical models while being comparable to that of the GD in regular statistical settings. To the best of our knowledge, it resolves a long-standing gap between statistical and algorithmic computational complexities of parameter estimation in non-regular statistical models. Finally, we provide targeted applications of the general theory to several classes of statistical models, including generalized linear models with polynomial link functions and location Gaussian mixture models.

We study the dynamics and implicit bias of gradient flow (GF) on univariate ReLU neural networks with a single hidden layer in a binary classification setting. We show that when the labels are determined by the sign of a target network with $r$ neurons, with high probability over the initialization of the network and the sampling of the dataset, GF converges in direction (suitably defined) to a network achieving perfect training accuracy and having at most $\mathcal{O}(r)$ linear regions, implying a generalization bound. Unlike many other results in the literature, under an additional assumption on the distribution of the data, our result holds even for mild over-parameterization, where the width is $\tilde{\mathcal{O}}(r)$ and independent of the sample size.

In many environmental applications, recurrent neural networks (RNNs) are often used to model physical variables with long temporal dependencies. However, due to mini-batch training, temporal relationships between training segments within the batch (intra-batch) as well as between batches (inter-batch) are not considered, which can lead to limited performance. Stateful RNNs aim to address this issue by passing hidden states between batches. Since Stateful RNNs ignore intra-batch temporal dependency, there exists a trade-off between training stability and capturing temporal dependency. In this paper, we provide a quantitative comparison of different Stateful RNN modeling strategies, and propose two strategies to enforce both intra- and inter-batch temporal dependency. First, we extend Stateful RNNs by defining a batch as a temporally ordered set of training segments, which enables intra-batch sharing of temporal information. While this approach significantly improves the performance, it leads to much larger training times due to highly sequential training. To address this issue, we further propose a new strategy which augments a training segment with an initial value of the target variable from the timestep right before the starting of the training segment. In other words, we provide an initial value of the target variable as additional input so that the network can focus on learning changes relative to that initial value. By using this strategy, samples can be passed in any order (mini-batch training) which significantly reduces the training time while maintaining the performance. In demonstrating our approach in hydrological modeling, we observe that the most significant gains in predictive accuracy occur when these methods are applied to state variables whose values change more slowly, such as soil water and snowpack, rather than continuously moving flux variables such as streamflow.

Feature selection is a technique in statistical prediction modeling that identifies features in a record with a strong statistical connection to the target variable. Excluding features with a weak statistical connection to the target variable in training not only drops the dimension of the data, which decreases the time complexity of the algorithm, it also decreases noise within the data which assists in avoiding overfitting. In all, feature selection assists in training a robust statistical model that performs well and is stable. Given the lack of scalability in classical computation, current techniques only consider the predictive power of the feature and not redundancy between the features themselves. Recent advancements in feature selection that leverages quantum annealing (QA) gives a scalable technique that aims to maximize the predictive power of the features while minimizing redundancy. As a consequence, it is expected that this algorithm would assist in the bias/variance trade-off yielding better features for training a statistical model. This paper tests this intuition against classical methods by utilizing open-source data sets and evaluate the efficacy of each trained statistical model well-known prediction algorithms. The numerical results display an advantage utilizing the features selected from the algorithm that leveraged QA.

Depth separation results propose a possible theoretical explanation for the benefits of deep neural networks over shallower architectures, establishing that the former possess superior approximation capabilities. However, there are no known results in which the deeper architecture leverages this advantage into a provable optimization guarantee. We prove that when the data are generated by a distribution with radial symmetry which satisfies some mild assumptions, gradient descent can efficiently learn ball indicator functions using a depth 2 neural network with two layers of sigmoidal activations, and where the hidden layer is held fixed throughout training. By building on and refining existing techniques for approximation lower bounds of neural networks with a single layer of non-linearities, we show that there are $d$-dimensional radial distributions on the data such that ball indicators cannot be learned efficiently by any algorithm to accuracy better than $\Omega(d^{-4})$, nor by a standard gradient descent implementation to accuracy better than a constant. These results establish what is to the best of our knowledge, the first optimization-based separations where the approximation benefits of the stronger architecture provably manifest in practice. Our proof technique introduces new tools and ideas that may be of independent interest in the theoretical study of both the approximation and optimization of neural networks.

A fundamental question in designing lossy data compression schemes is how well one can do in comparison with the rate-distortion function, which describes the known theoretical limits of lossy compression. Motivated by the empirical success of deep neural network (DNN) compressors on large, real-world data, we investigate methods to estimate the rate-distortion function on such data, which would allow comparison of DNN compressors with optimality. While one could use the empirical distribution of the data and apply the Blahut-Arimoto algorithm, this approach presents several computational challenges and inaccuracies when the datasets are large and high-dimensional, such as the case of modern image datasets. Instead, we re-formulate the rate-distortion objective, and solve the resulting functional optimization problem using neural networks. We apply the resulting rate-distortion estimator, called NERD, on popular image datasets, and provide evidence that NERD can accurately estimate the rate-distortion function. Using our estimate, we show that the rate-distortion achievable by DNN compressors are within several bits of the rate-distortion function for real-world datasets. Additionally, NERD provides access to the rate-distortion achieving channel, as well as samples from its output marginal. Therefore, using recent results in reverse channel coding, we describe how NERD can be used to construct an operational one-shot lossy compression scheme with guarantees on the achievable rate and distortion. Experimental results demonstrate competitive performance with DNN compressors.

This paper studies third-degree price discrimination (3PD) based on a random sample of valuation and covariate data, where the covariate is continuous, and the distribution of the data is unknown to the seller. The main results of this paper are twofold. The first set of results is pricing strategy independent and reveals the fundamental information-theoretic limitation of any data-based pricing strategy in revenue generation for two cases: 3PD and uniform pricing. The second set of results proposes the $K$-markets empirical revenue maximization (ERM) strategy and shows that the $K$-markets ERM and the uniform ERM strategies achieve the optimal rate of convergence in revenue to that generated by their respective true-distribution 3PD and uniform pricing optima. Our theoretical and numerical results suggest that the uniform (i.e., $1$-market) ERM strategy generates a larger revenue than the $K$-markets ERM strategy when the sample size is small enough, and vice versa.

Simple regret is a natural and parameter-free performance criterion for pure exploration in multi-armed bandits yet is less popular than the probability of missing the best arm or an $\epsilon$-good arm, perhaps due to lack of easy ways to characterize it. In this paper, we make significant progress on minimizing simple regret in both data-rich ($T\ge n$) and data-poor regime ($T \le n$) where $n$ is the number of arms, and $T$ is the number of samples. At its heart is our improved instance-dependent analysis of the well-known Sequential Halving (SH) algorithm, where we bound the probability of returning an arm whose mean reward is not within $\epsilon$ from the best (i.e., not $\epsilon$-good) for \textit{any} choice of $\epsilon>0$, although $\epsilon$ is not an input to SH. Our bound not only leads to an optimal worst-case simple regret bound of $\sqrt{n/T}$ up to logarithmic factors but also essentially matches the instance-dependent lower bound for returning an $\epsilon$-good arm reported by Katz-Samuels and Jamieson (2020). For the more challenging data-poor regime, we propose Bracketing SH (BSH) that enjoys the same improvement even without sampling each arm at least once. Our empirical study shows that BSH outperforms existing methods on real-world tasks.

Spatial data exhibits the property that nearby points are correlated. This also holds for learnt representations across layers, but not for commonly used weight initialization methods. Our theoretical analysis quantifies the learning behavior of weights of a single spatial filter. It is thus in contrast to a large body of work that discusses statistical properties of weights. It shows that uncorrelated initialization (i) might lead to poor convergence behavior and (ii) training of (some) parameters is likely subject to slow convergence. Empirical analysis shows that these findings for a single spatial filter extend to networks with many spatial filters. The impact of (correlated) initialization depends strongly on learning rates and l2-regularization.

Differing from the well-developed horizontal object detection area whereby the computing-friendly IoU based loss is readily adopted and well fits with the detection metrics. In contrast, rotation detectors often involve a more complicated loss based on SkewIoU which is unfriendly to gradient-based training. In this paper, we propose an effective approximate SkewIoU loss based on Gaussian modeing and Kalman filter, which mainly consists of two items. The first term is a scale-insensitive center point loss, which is used to quickly get the center points between bounding boxes closer to assist the second term. In the distance-independent second term, Kalman filter is adopted to inherently mimic the mechanism of SkewIoU by its definition, and show its alignment with the SkewIoU loss at trend-level within a certain distance (i.e. within 9 pixels). This is in contrast to recent Gaussian modeling based rotation detectors e.g. GWD loss and KLD loss that involve a human-specified distribution distance metric which require additional hyperparameter tuning that vary across datasets and detectors. The resulting new loss called KFIoU loss is easier to implement and works better compared with exact SkewIoU loss, thanks to its full differentiability and ability to handle the non-overlapping cases. We further extend our technique to the 3-D case which also suffers from the same issues as 2-D detection. Extensive results on various public datasets (2-D/3-D, aerial/text/face images) with different base detectors show the effectiveness of our approach.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

Event detection (ED), a sub-task of event extraction, involves identifying triggers and categorizing event mentions. Existing methods primarily rely upon supervised learning and require large-scale labeled event datasets which are unfortunately not readily available in many real-life applications. In this paper, we consider and reformulate the ED task with limited labeled data as a Few-Shot Learning problem. We propose a Dynamic-Memory-Based Prototypical Network (DMB-PN), which exploits Dynamic Memory Network (DMN) to not only learn better prototypes for event types, but also produce more robust sentence encodings for event mentions. Differing from vanilla prototypical networks simply computing event prototypes by averaging, which only consume event mentions once, our model is more robust and is capable of distilling contextual information from event mentions for multiple times due to the multi-hop mechanism of DMNs. The experiments show that DMB-PN not only deals with sample scarcity better than a series of baseline models but also performs more robustly when the variety of event types is relatively large and the instance quantity is extremely small.

Self-supervised learning aims to learn a embedding space where semantically similar samples are close. Contrastive learning methods pull views of samples together and push different samples away, which utilizes semantic invariance of augmentation but ignores the relationship between samples. To better exploit the power of augmentation, we observe that semantically similar samples are more likely to have similar augmented views. Therefore, we can take the augmented views as a special description of a sample. In this paper, we model such a description as the augmentation distribution and we call it augmentation feature. The similarity in augmentation feature reflects how much the views of two samples overlap and is related to their semantical similarity. Without computational burdens to explicitly estimate values of the augmentation feature, we propose Augmentation Component Analysis (ACA) with a contrastive-like loss to learn principal components and an on-the-fly projection loss to embed data. ACA equals an efficient dimension reduction by PCA and extracts low-dimensional embeddings, theoretically preserving the similarity of augmentation distribution between samples. Empirical results show our method can achieve competitive results against various traditional contrastive learning methods on different benchmarks.

In federated learning, a large number of users are involved in a global learning task, in a collaborative way. They alternate local computations and two-way communication with a distant orchestrating server. Communication, which can be slow and costly, is the main bottleneck in this setting. To reduce the communication load and therefore accelerate distributed gradient descent, two strategies are popular: 1) communicate less frequently; that is, perform several iterations of local computations between the communication rounds; and 2) communicate compressed information instead of full-dimensional vectors. We propose the first algorithm for distributed optimization and federated learning, which harnesses these two strategies jointly and converges linearly to an exact solution in the strongly convex setting, with a doubly accelerated rate: our algorithm benefits from the two acceleration mechanisms provided by local training and compression, namely a better dependency on the condition number of the functions and on the dimension of the model, respectively.

If you ask a human to describe an image, they might do so in a thousand different ways. Traditionally, image captioning models are trained to approximate the reference distribution of image captions, however, doing so encourages captions that are viewpoint-impoverished. Such captions often focus on only a subset of the possible details, while ignoring potentially useful information in the scene. In this work, we introduce a simple, yet novel, method: "Image Captioning by Committee Consensus" ($IC^3$), designed to generate a single caption that captures high-level details from several viewpoints. Notably, humans rate captions produced by $IC^3$ at least as helpful as baseline SOTA models more than two thirds of the time, and $IC^3$ captions can improve the performance of SOTA automated recall systems by up to 84%, indicating significant material improvements over existing SOTA approaches for visual description. Our code is publicly available at https://github.com/DavidMChan/caption-by-committee

This paper studies the fundamental limits of reinforcement learning (RL) in the challenging \emph{partially observable} setting. While it is well-established that learning in Partially Observable Markov Decision Processes (POMDPs) requires exponentially many samples in the worst case, a surge of recent work shows that polynomial sample complexities are achievable under the \emph{revealing condition} -- A natural condition that requires the observables to reveal some information about the unobserved latent states. However, the fundamental limits for learning in revealing POMDPs are much less understood, with existing lower bounds being rather preliminary and having substantial gaps from the current best upper bounds. We establish strong PAC and regret lower bounds for learning in revealing POMDPs. Our lower bounds scale polynomially in all relevant problem parameters in a multiplicative fashion, and achieve significantly smaller gaps against the current best upper bounds, providing a solid starting point for future studies. In particular, for \emph{multi-step} revealing POMDPs, we show that (1) the latent state-space dependence is at least $\Omega(S^{1.5})$ in the PAC sample complexity, which is notably harder than the $\widetilde{\Theta}(S)$ scaling for fully-observable MDPs; (2) Any polynomial sublinear regret is at least $\Omega(T^{2/3})$, suggesting its fundamental difference from the \emph{single-step} case where $\widetilde{O}(\sqrt{T})$ regret is achievable. Technically, our hard instance construction adapts techniques in \emph{distribution testing}, which is new to the RL literature and may be of independent interest.

We propose Dual PatchNorm: two Layer Normalization layers (LayerNorms), before and after the patch embedding layer in Vision Transformers. We demonstrate that Dual PatchNorm outperforms the result of exhaustive search for alternative LayerNorm placement strategies in the Transformer block itself. In our experiments, incorporating this trivial modification, often leads to improved accuracy over well-tuned Vision Transformers and never hurts.

We propose the first Bayesian encoder for metric learning. Rather than relying on neural amortization as done in prior works, we learn a distribution over the network weights with the Laplace Approximation. We actualize this by first proving that the contrastive loss is a valid log-posterior. We then propose three methods that ensure a positive definite Hessian. Lastly, we present a novel decomposition of the Generalized Gauss-Newton approximation. Empirically, we show that our Laplacian Metric Learner (LAM) estimates well-calibrated uncertainties, reliably detects out-of-distribution examples, and yields state-of-the-art predictive performance.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

The conflict between strength and toughness is a fundamental problem in engineering materials design. However, systematic discovery of microstructured composites with optimal strength-toughness trade-offs has never been demonstrated due to the discrepancies between simulation and reality and the lack of data-efficient exploration of the entire Pareto front. Here, we report a widely applicable pipeline harnessing physical experiments, numerical simulations, and artificial neural networks to efficiently discover microstructured designs that are simultaneously tough and strong. Using a physics-based simulator with moderate complexity, our strategy runs a data-driven proposal-validation workflow in a nested-loop fashion to bridge the gap between simulation and reality in high sample efficiency. Without any prescribed expert knowledge of materials design, our approach automatically identifies existing toughness enhancement mechanisms that were traditionally discovered through trial-and-error or biomimicry. We provide a blueprint for the computational discovery of optimal designs, which inverts traditional scientific approaches, and is applicable to a wide range of research problems beyond composites, including polymer chemistry, fluid dynamics, meteorology, and robotics.

We prove rigorous bounds on the errors resulting from the approximation of the incompressible Navier-Stokes equations with (extended) physics informed neural networks. We show that the underlying PDE residual can be made arbitrarily small for tanh neural networks with two hidden layers. Moreover, the total error can be estimated in terms of the training error, network size and number of quadrature points. The theory is illustrated with numerical experiments.

The study of molecule-target interaction is quite important for drug discovery in terms of target identification, pathway study, drug-drug interaction, etc. Most existing methodologies utilize either biomedical network information or molecule structural features to predict potential interaction link. However, the biomedical network information based methods usually suffer from cold start problem, while structure based methods often give limited performance due to the structure/interaction assumption and data quality. To address these issues, we propose a pseudo-siamese Graph Neural Network method, namely MTINet+, which learns both biomedical network topological and molecule structural/chemical information as representations to predict potential interaction of given molecule and target pair. In MTINet+, 1-hop subgraphs of given molecule and target pair are extracted from known interaction of biomedical network as topological information, meanwhile the molecule structural and chemical attributes are processed as molecule information. MTINet+ learns these two types of information as embedding features for predicting the pair link. In the experiments of different molecule-target interaction tasks, MTINet+ significantly outperforms over the state-of-the-art baselines. In addition, in our designed network sparsity experiments , MTINet+ shows strong robustness against different sparse biomedical networks.

Multi-objective Bayesian optimization aims to find the Pareto front of optimal trade-offs between a set of expensive objectives while collecting as few samples as possible. In some cases, it is possible to evaluate the objectives separately, and a different latency or evaluation cost can be associated with each objective. This presents an opportunity to learn the Pareto front faster by evaluating the cheaper objectives more frequently. We propose a scalarization based knowledge gradient acquisition function which accounts for the different evaluation costs of the objectives. We prove consistency of the algorithm and show empirically that it significantly outperforms a benchmark algorithm which always evaluates both objectives.

While many solutions for privacy-preserving convex empirical risk minimization (ERM) have been developed, privacy-preserving nonconvex ERM remains a challenge. We study nonconvex ERM, which takes the form of minimizing a finite-sum of nonconvex loss functions over a training set. We propose a new differentially private stochastic gradient descent algorithm for nonconvex ERM that achieves strong privacy guarantees efficiently, and provide a tight analysis of its privacy and utility guarantees, as well as its gradient complexity. Our algorithm reduces gradient complexity while improves the best previous utility guarantee given by Wang et al. (NeurIPS 2017). Our experiments on benchmark nonconvex ERM problems demonstrate superior performance in terms of both training cost and utility gains compared with previous differentially private methods using the same privacy budgets.

Fully decentralized learning, where the global information, i.e., the actions of other agents, is inaccessible, is a fundamental challenge in cooperative multi-agent reinforcement learning. However, the convergence and optimality of most decentralized algorithms are not theoretically guaranteed, since the transition probabilities are non-stationary as all agents are updating policies simultaneously. To tackle this challenge, we propose best possible operator, a novel decentralized operator, and prove that the policies of agents will converge to the optimal joint policy if each agent independently updates its individual state-action value by the operator. Further, to make the update more efficient and practical, we simplify the operator and prove that the convergence and optimality still hold with the simplified one. By instantiating the simplified operator, the derived fully decentralized algorithm, best possible Q-learning (BQL), does not suffer from non-stationarity. Empirically, we show that BQL achieves remarkable improvement over baselines in a variety of cooperative multi-agent tasks.

We present Factor Fields, a novel framework for modeling and representing signals. Factor Fields decomposes a signal into a product of factors, each of which is represented by a neural or regular field representation operating on a coordinate transformed input signal. We show that this decomposition yields a unified framework that generalizes several recent signal representations including NeRF, PlenOxels, EG3D, Instant-NGP, and TensoRF. Moreover, the framework allows for the creation of powerful new signal representations, such as the Coefficient-Basis Factorization (CoBaFa) which we propose in this paper. As evidenced by our experiments, CoBaFa leads to improvements over previous fast reconstruction methods in terms of the three critical goals in neural signal representation: approximation quality, compactness and efficiency. Experimentally, we demonstrate that our representation achieves better image approximation quality on 2D image regression tasks, higher geometric quality when reconstructing 3D signed distance fields and higher compactness for radiance field reconstruction tasks compared to previous fast reconstruction methods. Besides, our CoBaFa representation enables generalization by sharing the basis across signals during training, enabling generalization tasks such as image regression with sparse observations and few-shot radiance field reconstruction.

Many visualizations have been developed for explainable AI (XAI), but they often require further reasoning by users to interpret. We argue that XAI should support abductive reasoning - inference to the best explanation - with diagrammatic reasoning to convey hypothesis generation and evaluation. Inspired by Peircean diagrammatic reasoning and the 5-step abduction process, we propose Diagrammatization, an approach to provide diagrammatic, abductive explanations based on domain hypotheses. We implemented DiagramNet for a clinical application to predict diagnoses from heart auscultation, and explain with shape-based murmur diagrams. In modeling studies, we found that DiagramNet not only provides faithful murmur shape explanations, but also has better prediction performance than baseline models. We further demonstrate the usefulness of diagrammatic explanations in a qualitative user study with medical students, showing that clinically-relevant, diagrammatic explanations are preferred over technical saliency map explanations. This work contributes insights into providing domain-conventional abductive explanations for user-centric XAI.

Heterogeneous graphs offer powerful data representations for traffic, given their ability to model the complex interaction effects among a varying number of traffic participants and the underlying road infrastructure. With the recent advent of graph neural networks (GNNs) as the accompanying deep learning framework, the graph structure can be efficiently leveraged for various machine learning applications such as trajectory prediction. As a first of its kind, our proposed Python framework offers an easy-to-use and fully customizable data processing pipeline to extract standardized graph datasets from traffic scenarios. Providing a platform for GNN-based autonomous driving research, it improves comparability between approaches and allows researchers to focus on model implementation instead of dataset curation.

We introduce Neuro-Symbolic Continual Learning, where a model has to solve a sequence of neuro-symbolic tasks, that is, it has to map sub-symbolic inputs to high-level concepts and compute predictions by reasoning consistently with prior knowledge. Our key observation is that neuro-symbolic tasks, although different, often share concepts whose semantics remains stable over time. Traditional approaches fall short: existing continual strategies ignore knowledge altogether, while stock neuro-symbolic architectures suffer from catastrophic forgetting. We show that leveraging prior knowledge by combining neuro-symbolic architectures with continual strategies does help avoid catastrophic forgetting, but also that doing so can yield models affected by reasoning shortcuts. These undermine the semantics of the acquired concepts, even when detailed prior knowledge is provided upfront and inference is exact, and in turn continual performance. To overcome these issues, we introduce COOL, a COncept-level cOntinual Learning strategy tailored for neuro-symbolic continual problems that acquires high-quality concepts and remembers them over time. Our experiments on three novel benchmarks highlights how COOL attains sustained high performance on neuro-symbolic continual learning tasks in which other strategies fail.

Federated analytics (FA) is a privacy-preserving framework for computing data analytics over multiple remote parties (e.g., mobile devices) or silo-ed institutional entities (e.g., hospitals, banks) without sharing the data among parties. Motivated by the practical use cases of federated analytics, we follow a systematic discussion on federated analytics in this article. In particular, we discuss the unique characteristics of federated analytics and how it differs from federated learning. We also explore a wide range of FA queries and discuss various existing solutions and potential use case applications for different FA queries.

There has been significant recent progress in training differentially private (DP) models which achieve accuracy that approaches the best non-private models. These DP models are typically pretrained on large public datasets and then fine-tuned on downstream datasets that are (i) relatively large, and (ii) similar in distribution to the pretraining data. However, in many applications including personalization, it is crucial to perform well in the few-shot setting, as obtaining large amounts of labeled data may be problematic; and on images from a wide variety of domains for use in various specialist settings. To understand under which conditions few-shot DP can be effective, we perform an exhaustive set of experiments that reveals how the accuracy and vulnerability to attack of few-shot DP image classification models are affected as the number of shots per class, privacy level, model architecture, dataset, and subset of learnable parameters in the model vary. We show that to achieve DP accuracy on par with non-private models, the shots per class must be increased as the privacy level increases by as much as 32$\times$ for CIFAR-100 at $\epsilon=1$. We also find that few-shot non-private models are highly susceptible to membership inference attacks. DP provides clear mitigation against the attacks, but a small $\epsilon$ is required to effectively prevent them. Finally, we evaluate DP federated learning systems and establish state-of-the-art performance on the challenging FLAIR federated learning benchmark.

In this work, we demonstrate how to reliably estimate epistemic uncertainty while maintaining the flexibility needed to capture complicated aleatoric distributions. To this end, we propose an ensemble of Normalizing Flows (NF), which are state-of-the-art in modeling aleatoric uncertainty. The ensembles are created via sets of fixed dropout masks, making them less expensive than creating separate NF models. We demonstrate how to leverage the unique structure of NFs, base distributions, to estimate aleatoric uncertainty without relying on samples, provide a comprehensive set of baselines, and derive unbiased estimates for differential entropy. The methods were applied to a variety of experiments, commonly used to benchmark aleatoric and epistemic uncertainty estimation: 1D sinusoidal data, 2D windy grid-world ($\it{Wet Chicken}$), $\it{Pendulum}$, and $\it{Hopper}$. In these experiments, we setup an active learning framework and evaluate each model's capability at measuring aleatoric and epistemic uncertainty. The results show the advantages of using NF ensembles in capturing complicated aleatoric while maintaining accurate epistemic uncertainty estimates.

The degradation in the underwater images is due to wavelength-dependent light attenuation, scattering, and to the diversity of the water types in which they are captured. Deep neural networks take a step in this field, providing autonomous models able to achieve the enhancement of underwater images. We introduce Underwater Capsules Vectors GAN UWCVGAN based on the discrete features quantization paradigm from VQGAN for this task. The proposed UWCVGAN combines an encoding network, which compresses the image into its latent representation, with a decoding network, able to reconstruct the enhancement of the image from the only latent representation. In contrast with VQGAN, UWCVGAN achieves feature quantization by exploiting the clusterization ability of capsule layer, making the model completely trainable and easier to manage. The model obtains enhanced underwater images with high quality and fine details. Moreover, the trained encoder is independent of the decoder giving the possibility to be embedded onto the collector as compressing algorithm to reduce the memory space required for the images, of factor $3\times$. \myUWCVGAN{ }is validated with quantitative and qualitative analysis on benchmark datasets, and we present metrics results compared with the state of the art.

The rapid ascent in carbon dioxide emissions is a major cause of global warming and climate change, which pose a huge threat to human survival and impose far-reaching influence on the global ecosystem. Therefore, it is very necessary to effectively control carbon dioxide emissions by accurately predicting and analyzing the change trend timely, so as to provide a reference for carbon dioxide emissions mitigation measures. This paper is aiming to select a suitable model to predict the near-real-time daily emissions based on univariate daily time-series data from January 1st, 2020 to September 30st, 2022 of all sectors (Power, Industry, Ground Transport, Residential, Domestic Aviation, International Aviation) in China. We proposed six prediction models, which including three statistical models: Grey prediction (GM(1,1)), autoregressive integrated moving average (ARIMA) and seasonal autoregressive integrated moving average with exogenous factors (SARIMAX); three machine learning models: artificial neural network (ANN), random forest (RF) and long short term memory (LSTM). To evaluate the performance of these models, five criteria: Mean Squared Error (MSE), Root Mean Squared Error (RMSE), Mean Absolute Error (MAE), Mean Absolute Percentage Error (MAPE) and Coefficient of Determination () are imported and discussed in detail. In the results, three machine learning models perform better than that three statistical models, in which LSTM model performs the best on five criteria values for daily emissions prediction with the 3.5179e-04 MSE value, 0.0187 RMSE value, 0.0140 MAE value, 14.8291% MAPE value and 0.9844 value.

The power output of a wind turbine depends on a variety of factors, including wind speed at different heights, wind direction, temperature and turbine properties. Wind speed and direction, in particular, have complex cycles and fluctuate dramatically, leading to large uncertainties in wind power output. This study uses variational mode decomposition (VMD) to decompose the wind power series and Temporal fusion transformer (TFT) to forecast wind power for the next 1h, 3h and 6h. The experimental results show that VMD outperforms other decomposition algorithms and the TFT model outperforms other decomposition models.

Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where the equations of motion are integrated with timesteps on the order of femtoseconds ($1\textrm{fs}=10^{-15}\textrm{s}$). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD. Furthermore, new MD simulations need to be performed from scratch for each molecular system studied. We present Timewarp, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of $10^{5} - 10^{6}\:\textrm{fs}$. Crucially, Timewarp is transferable between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids), exploring their metastable states and providing wall-clock acceleration when sampling compared to standard MD. Our method constitutes an important step towards developing general, transferable algorithms for accelerating MD.

Activity difference based learning algorithms-such as contrastive Hebbian learning and equilibrium propagation-have been proposed as biologically plausible alternatives to error back-propagation. However, on traditional digital chips these algorithms suffer from having to solve a costly inference problem twice, making these approaches more than two orders of magnitude slower than back-propagation. In the analog realm equilibrium propagation may be promising for fast and energy efficient learning, but states still need to be inferred and stored twice. Inspired by lifted neural networks and compartmental neuron models we propose a simple energy based compartmental neuron model, termed dual propagation, in which each neuron is a dyad with two intrinsic states. At inference time these intrinsic states encode the error/activity duality through their difference and their mean respectively. The advantage of this method is that only a single inference phase is needed and that inference can be solved in layerwise closed-form. Experimentally we show on common computer vision datasets, including Imagenet32x32, that dual propagation performs equivalently to back-propagation both in terms of accuracy and runtime.

This work provides a formalization of Knowledge Graphs (KGs) as a new class of graphs that we denote doubly exchangeable attributed graphs, where node and pairwise (joint 2-node) representations must be equivariant to permutations of both node ids and edge (& node) attributes (relations & node features). Double-permutation equivariant KG representations open a new research direction in KGs. We show that this equivariance imposes a structural representation of relations that allows neural networks to perform complex logical reasoning tasks in KGs. Finally, we introduce a general blueprint for such equivariant representations and test a simple GNN-based double-permutation equivariant neural architecture that achieve 100% Hits@10 test accuracy in both the WN18RRv1 and NELL995v1 inductive KG completion tasks, and can accurately perform logical reasoning tasks that no existing methods can perform, to the best of our knowledge.

This work proposes Fed-GLOSS-DP, a novel approach to privacy-preserving learning that uses synthetic data to train federated models. In our approach, the server recovers an approximation of the global loss landscape in a local neighborhood based on synthetic samples received from the clients. In contrast to previous, point-wise, gradient-based, linear approximation (such as FedAvg), our formulation enables a type of global optimization that is particularly beneficial in non-IID federated settings. We also present how it rigorously complements record-level differential privacy. Extensive results show that our novel formulation gives rise to considerable improvements in terms of convergence speed and communication costs. We argue that our new approach to federated learning can provide a potential path toward reconciling privacy and accountability by sending differentially private, synthetic data instead of gradient updates. The source code will be released upon publication.

The bandit paradigm provides a unified modeling framework for problems that require decision-making under uncertainty. Because many business metrics can be viewed as rewards (a.k.a. utilities) that result from actions, bandit algorithms have seen a large and growing interest from industrial applications, such as search, recommendation and advertising. Indeed, with the bandit lens comes the promise of direct optimisation for the metrics we care about. Nevertheless, the road to successfully applying bandits in production is not an easy one. Even when the action space and rewards are well-defined, practitioners still need to make decisions regarding multi-arm or contextual approaches, on- or off-policy setups, delayed or immediate feedback, myopic or long-term optimisation, etc. To make matters worse, industrial platforms typically give rise to large action spaces in which existing approaches tend to break down. The research literature on these topics is broad and vast, but this can overwhelm practitioners, whose primary aim is to solve practical problems, and therefore need to decide on a specific instantiation or approach for each project. This tutorial will take a step towards filling that gap between the theory and practice of bandits. Our goal is to present a unified overview of the field and its existing terminology, concepts and algorithms -- with a focus on problems relevant to industry. We hope our industrial perspective will help future practitioners who wish to leverage the bandit paradigm for their application.

We consider the problem of answering observational, interventional, and counterfactual queries in a causally sufficient setting where only observational data and the causal graph are available. Utilizing the recent developments in diffusion models, we introduce diffusion-based causal models (DCM) to learn causal mechanisms, that generate unique latent encodings to allow for direct sampling under interventions as well as abduction for counterfactuals. We utilize DCM to model structural equations, seeing that diffusion models serve as a natural candidate here since they encode each node to a latent representation, a proxy for the exogenous noise, and offer flexible and accurate modeling to provide reliable causal statements and estimates. Our empirical evaluations demonstrate significant improvements over existing state-of-the-art methods for answering causal queries. Our theoretical results provide a methodology for analyzing the counterfactual error for general encoder/decoder models which could be of independent interest.

By generating prediction intervals (PIs) to quantify the uncertainty of each prediction in deep learning regression, the risk of wrong predictions can be effectively controlled. High-quality PIs need to be as narrow as possible, whilst covering a preset proportion of real labels. At present, many approaches to improve the quality of PIs can effectively reduce the width of PIs, but they do not ensure that enough real labels are captured. Inductive Conformal Predictor (ICP) is an algorithm that can generate effective PIs which is theoretically guaranteed to cover a preset proportion of data. However, typically ICP is not directly optimized to yield minimal PI width. However, in this study, we use Directly Optimized Inductive Conformal Regression (DOICR) that takes only the average width of PIs as the loss function and increases the quality of PIs through an optimized scheme under the validity condition that sufficient real labels are captured in the PIs. Benchmark experiments show that DOICR outperforms current state-of-the-art algorithms for regression problems using underlying Deep Neural Network structures for both tabular and image data.

Understanding the extent to which the perceptual world can be recovered from language is a fundamental problem in cognitive science. We reformulate this problem as that of distilling psychophysical information from text and show how this can be done by combining large language models (LLMs) with a classic psychophysical method based on similarity judgments. Specifically, we use the prompt auto-completion functionality of GPT3, a state-of-the-art LLM, to elicit similarity scores between stimuli and then apply multidimensional scaling to uncover their underlying psychological space. We test our approach on six perceptual domains and show that the elicited judgments strongly correlate with human data and successfully recover well-known psychophysical structures such as the color wheel and pitch spiral. We also explore meaningful divergences between LLM and human representations. Our work showcases how combining state-of-the-art machine models with well-known cognitive paradigms can shed new light on fundamental questions in perception and language research.

Diffusion-based generative models have shown great potential for image synthesis, but there is a lack of research on the security and privacy risks they may pose. In this paper, we investigate the vulnerability of diffusion models to Membership Inference Attacks (MIAs), a common privacy concern. Our results indicate that existing MIAs designed for GANs or VAE are largely ineffective on diffusion models, either due to inapplicable scenarios (e.g., requiring the discriminator of GANs) or inappropriate assumptions (e.g., closer distances between synthetic images and member images). To address this gap, we propose Step-wise Error Comparing Membership Inference (SecMI), a black-box MIA that infers memberships by assessing the matching of forward process posterior estimation at each timestep. SecMI follows the common overfitting assumption in MIA where member samples normally have smaller estimation errors, compared with hold-out samples. We consider both the standard diffusion models, e.g., DDPM, and the text-to-image diffusion models, e.g., Stable Diffusion. Experimental results demonstrate that our methods precisely infer the membership with high confidence on both of the two scenarios across six different datasets

The conventional understanding of adversarial training in generative adversarial networks (GANs) is that the discriminator is trained to estimate a divergence, and the generator learns to minimize this divergence. We argue that despite the fact that many variants of GANs were developed following this paradigm, the current theoretical understanding of GANs and their practical algorithms are inconsistent. In this paper, we leverage Wasserstein gradient flows which characterize the evolution of particles in the sample space, to gain theoretical insights and algorithmic inspiration of GANs. We introduce a unified generative modeling framework - MonoFlow: the particle evolution is rescaled via a monotonically increasing mapping of the log density ratio. Under our framework, adversarial training can be viewed as a procedure first obtaining MonoFlow's vector field via training the discriminator and the generator learns to draw the particle flow defined by the corresponding vector field. We also reveal the fundamental difference between variational divergence minimization and adversarial training. This analysis helps us to identify what types of generator loss functions can lead to the successful training of GANs and suggest that GANs may have more loss designs beyond the literature (e.g., non-saturated loss), as long as they realize MonoFlow. Consistent empirical studies are included to validate the effectiveness of our framework.

Simulations of large-scale dynamical systems require expensive computations. Low-dimensional parametrization of high-dimensional states such as Proper Orthogonal Decomposition (POD) can be a solution to lessen the burdens by providing a certain compromise between accuracy and model complexity. However, for really low-dimensional parametrizations (for example for controller design) linear methods like the POD come to their natural limits so that nonlinear approaches will be the methods of choice. In this work we propose a convolutional autoencoder (CAE) consisting of a nonlinear encoder and an affine linear decoder and consider combinations with k-means clustering for improved encoding performance. The proposed set of methods is compared to the standard POD approach in two cylinder-wake scenarios modeled by the incompressible Navier-Stokes equations.

Fast and efficient transport protocols are the foundation of an increasingly distributed world. The burden of continuously delivering improved communication performance to support next-generation applications and services, combined with the increasing heterogeneity of systems and network technologies, has promoted the design of Congestion Control (CC) algorithms that perform well under specific environments. The challenge of designing a generic CC algorithm that can adapt to a broad range of scenarios is still an open research question. To tackle this challenge, we propose to apply a novel Reinforcement Learning (RL) approach. Our solution, MARLIN, uses the Soft Actor-Critic algorithm to maximize both entropy and return and models the learning process as an infinite-horizon task. We trained MARLIN on a real network with varying background traffic patterns to overcome the sim-to-real mismatch that researchers have encountered when applying RL to CC. We evaluated our solution on the task of file transfer and compared it to TCP Cubic. While further research is required, results have shown that MARLIN can achieve comparable results to TCP with little hyperparameter tuning, in a task significantly different from its training setting. Therefore, we believe that our work represents a promising first step toward building CC algorithms based on the maximum entropy RL framework.

The evaluation of Deep Learning models has traditionally focused on criteria such as accuracy, F1 score, and related measures. The increasing availability of high computational power environments allows the creation of deeper and more complex models. However, the computations needed to train such models entail a large carbon footprint. In this work, we study the relations between DL model architectures and their environmental impact in terms of energy consumed and CO$_2$ emissions produced during training by means of an empirical study using Deep Convolutional Neural Networks. Concretely, we study: (i) the impact of the architecture and the location where the computations are hosted on the energy consumption and emissions produced; (ii) the trade-off between accuracy and energy efficiency; and (iii) the difference on the method of measurement of the energy consumed using software-based and hardware-based tools.

Deep lens optimization has recently emerged as a new paradigm for designing computational imaging systems, however it has been limited to either simple optical systems consisting of a single DOE or metalens, or the fine-tuning of compound lenses from good initial designs. Here we present a deep lens design method based on curriculum learning, which is able to learn optical designs of compound lenses ab initio from randomly initialized surfaces, therefore overcoming the need for a good initial design. We demonstrate this approach with the fully-automatic design of an extended depth-of-field computational camera in a cellphone-style form factor, highly aspherical surfaces, and a short back focal length.

Although very successfully used in machine learning, convolution based neural network architectures -- believed to be inconsistent in function space -- have been largely ignored in the context of learning solution operators of PDEs. Here, we adapt convolutional neural networks to demonstrate that they are indeed able to process functions as inputs and outputs. The resulting architecture, termed as convolutional neural operators (CNOs), is shown to significantly outperform competing models on benchmark experiments, paving the way for the design of an alternative robust and accurate framework for learning operators.

Online advertising platforms typically use auction mechanisms to allocate ad placements. Advertisers participate in a series of repeated auctions, and must select bids that will maximize their overall rewards while adhering to certain constraints. We focus on the scenario in which the advertiser has budget and return-on-investment (ROI) constraints. We investigate the problem of budget- and ROI-constrained bidding in repeated non-truthful auctions, such as first-price auctions, and present a best-of-both-worlds framework with no-regret guarantees under both stochastic and adversarial inputs. By utilizing the notion of interval regret, we demonstrate that our framework does not require knowledge of specific parameters of the problem which could be difficult to determine in practice. Our proof techniques can be applied to both the adversarial and stochastic cases with minimal modifications, thereby providing a unified perspective on the two problems. In the adversarial setting, we also show that it is possible to loosen the traditional requirement of having a strictly feasible solution to the offline optimization problem at each round.

Missing data is common in datasets retrieved in various areas, such as medicine, sports, and finance. In many cases, to enable proper and reliable analyses of such data, the missing values are often imputed, and it is necessary that the method used has a low root mean square error (RMSE) between the imputed and the true values. In addition, for some critical applications, it is also often a requirement that the logic behind the imputation is explainable, which is especially difficult for complex methods that are for example, based on deep learning. This motivates us to introduce a conditional Distribution based Imputation of Missing Values (DIMV) algorithm. This approach works based on finding the conditional distribution of a feature with missing entries based on the fully observed features. As will be illustrated in the paper, DIMV (i) gives a low RMSE for the imputed values compared to state-of-the-art methods under comparison; (ii) is explainable; (iii) can provide an approximated confidence region for the missing values in a given sample; (iv) works for both small and large scale data; (v) in many scenarios, does not require a huge number of parameters as deep learning approaches and therefore can be used for mobile devices or web browsers; and (vi) is robust to the normally distributed assumption that its theoretical grounds rely on. In addition to DIMV, we also introduce the DPER* algorithm improving the speed of DPER for estimating the mean and covariance matrix from the data, and we confirm the speed-up via experiments.

We consider online scheduling on unrelated (heterogeneous) machines in a speed-oblivious setting, where an algorithm is unaware of the exact job-dependent processing speeds. We show strong impossibility results for clairvoyant and non-clairvoyant algorithms and overcome them in models inspired by practical settings: (i) we provide competitive learning-augmented algorithms, assuming that (possibly erroneous) predictions on the speeds are given, and (ii) we provide competitive algorithms for the speed-ordered model, where a single global order of machines according to their unknown job-dependent speeds is known. We prove strong theoretical guarantees and evaluate our findings on a representative heterogeneous multi-core processor. These seem to be the first empirical results for algorithms with predictions that are performed in a non-synthetic environment on real hardware.

RL is increasingly being used to control robotic systems that interact closely with humans. This interaction raises the problem of safe RL: how to ensure that a RL-controlled robotic system never, for instance, injures a human. This problem is especially challenging in rich, realistic settings where it is not even possible to clearly write down a reward function which incorporates these outcomes. In these circumstances, perhaps the only viable approach is based on IRL, which infers rewards from human demonstrations. However, IRL is massively underdetermined as many different rewards can lead to the same optimal policies; we show that this makes it difficult to distinguish catastrophic outcomes (such as injuring a human) from merely undesirable outcomes. Our key insight is that humans do display different behaviour when catastrophic outcomes are possible: they become much more careful. We incorporate carefulness signals into IRL, and find that they do indeed allow IRL to disambiguate undesirable from catastrophic outcomes, which is critical to ensuring safety in future real-world human-robot interactions.

Graph Neural Networks (GNNs) have become the leading paradigm for learning on (static) graph-structured data. However, many real-world systems are dynamic in nature, since the graph and node/edge attributes change over time. In recent years, GNN-based models for temporal graphs have emerged as a promising area of research to extend the capabilities of GNNs. In this work, we provide the first comprehensive overview of the current state-of-the-art of temporal GNN, introducing a rigorous formalization of learning settings and tasks and a novel taxonomy categorizing existing approaches in terms of how the temporal aspect is represented and processed. We conclude the survey with a discussion of the most relevant open challenges for the field, from both research and application perspectives.

This work aims to assess how well a model performs under distribution shifts without using labels. While recent methods study prediction confidence, this work reports prediction dispersity is another informative cue. Confidence reflects whether the individual prediction is certain; dispersity indicates how the overall predictions are distributed across all categories. Our key insight is that a well-performing model should give predictions with high confidence and high dispersity. That is, we need to consider both properties so as to make more accurate estimates. To this end, we use the nuclear norm that has been shown to be effective in characterizing both properties. Extensive experiments validate the effectiveness of nuclear norm for various models (e.g., ViT and ConvNeXt), different datasets (e.g., ImageNet and CUB-200), and diverse types of distribution shifts (e.g., style shift and reproduction shift). We show that the nuclear norm is more accurate and robust in accuracy estimation than existing methods. Furthermore, we validate the feasibility of other measurements (e.g., mutual information maximization) for characterizing dispersity and confidence. Lastly, we investigate the limitation of the nuclear norm, study its improved variant under severe class imbalance, and discuss potential directions.

Dynamic graphs are rich data structures that are used to model complex relationships between entities over time. In particular, anomaly detection in temporal graphs is crucial for many real world applications such as intrusion identification in network systems, detection of ecosystem disturbances and detection of epidemic outbreaks. In this paper, we focus on change point detection in dynamic graphs and address three main challenges associated with this problem: i). how to compare graph snapshots across time, ii). how to capture temporal dependencies, and iii). how to combine different views of a temporal graph. To solve the above challenges, we first propose Laplacian Anomaly Detection (LAD) which uses the spectrum of graph Laplacian as the low dimensional embedding of the graph structure at each snapshot. LAD explicitly models short term and long term dependencies by applying two sliding windows. Next, we propose MultiLAD, a simple and effective generalization of LAD to multi-view graphs. MultiLAD provides the first change point detection method for multi-view dynamic graphs. It aggregates the singular values of the normalized graph Laplacian from different views through the scalar power mean operation. Through extensive synthetic experiments, we show that i). LAD and MultiLAD are accurate and outperforms state-of-the-art baselines and their multi-view extensions by a large margin, ii). MultiLAD's advantage over contenders significantly increases when additional views are available, and iii). MultiLAD is highly robust to noise from individual views. In five real world dynamic graphs, we demonstrate that LAD and MultiLAD identify significant events as top anomalies such as the implementation of government COVID-19 interventions which impacted the population mobility in multi-view traffic networks.

Curriculum learning is a learning method that trains models in a meaningful order from easier to harder samples. A key here is to devise automatic and objective difficulty measures of samples. In the medical domain, previous work applied domain knowledge from human experts to qualitatively assess classification difficulty of medical images to guide curriculum learning, which requires extra annotation efforts, relies on subjective human experience, and may introduce bias. In this work, we propose a new automated curriculum learning technique using the variance of gradients (VoG) to compute an objective difficulty measure of samples and evaluated its effects on elbow fracture classification from X-ray images. Specifically, we used VoG as a metric to rank each sample in terms of the classification difficulty, where high VoG scores indicate more difficult cases for classification, to guide the curriculum training process We compared the proposed technique to a baseline (without curriculum learning), a previous method that used human annotations on classification difficulty, and anti-curriculum learning. Our experiment results showed comparable and higher performance for the binary and multi-class bone fracture classification tasks.

Concept Bottleneck Models (CBMs) map the inputs onto a set of interpretable concepts (``the bottleneck'') and use the concepts to make predictions. A concept bottleneck enhances interpretability since it can be investigated to understand what concepts the model "sees" in an input and which of these concepts are deemed important. However, CBMs are restrictive in practice as they require dense concept annotations in the training data to learn the bottleneck. Moreover, CBMs often do not match the accuracy of an unrestricted neural network, reducing the incentive to deploy them in practice. In this work, we address these limitations of CBMs by introducing Post-hoc Concept Bottleneck models (PCBMs). We show that we can turn any neural network into a PCBM without sacrificing model performance while still retaining the interpretability benefits. When concept annotations are not available on the training data, we show that PCBM can transfer concepts from other datasets or from natural language descriptions of concepts via multimodal models. A key benefit of PCBM is that it enables users to quickly debug and update the model to reduce spurious correlations and improve generalization to new distributions. PCBM allows for global model edits, which can be more efficient than previous works on local interventions that fix a specific prediction. Through a model-editing user study, we show that editing PCBMs via concept-level feedback can provide significant performance gains without using data from the target domain or model retraining.

Business Knowledge Graphs (KGs) are important to many enterprises today, providing factual knowledge and structured data that steer many products and make them more intelligent. Despite their promising benefits, building business KG necessitates solving prohibitive issues of deficient structure and multiple modalities. In this paper, we advance the understanding of the practical challenges related to building KG in non-trivial real-world systems. We introduce the process of building an open business knowledge graph (OpenBG) derived from a well-known enterprise, Alibaba Group. Specifically, we define a core ontology to cover various abstract products and consumption demands, with fine-grained taxonomy and multimodal facts in deployed applications. OpenBG is an open business KG of unprecedented scale: 2.6 billion triples with more than 88 million entities covering over 1 million core classes/concepts and 2,681 types of relations. We release all the open resources (OpenBG benchmarks) derived from it for the community and report experimental results of KG-centric tasks. We also run up an online competition based on OpenBG benchmarks, and has attracted thousands of teams. We further pre-train OpenBG and apply it to many KG- enhanced downstream tasks in business scenarios, demonstrating the effectiveness of billion-scale multimodal knowledge for e-commerce. All the resources with codes have been released at \url{https://github.com/OpenBGBenchmark/OpenBG}.

We consider an online two-stage stochastic optimization with long-term constraints over a finite horizon of $T$ periods. At each period, we take the first-stage action, observe a model parameter realization and then take the second-stage action from a feasible set that depends both on the first-stage decision and the model parameter. We aim to minimize the cumulative objective value while guaranteeing that the long-term average second-stage decision belongs to a set. We propose a general algorithmic framework that derives online algorithms for the online two-stage problem from adversarial learning algorithms. Also, the regret bound of our algorithm cam be reduced to the regret bound of embedded adversarial learning algorithms. Based on our framework, we obtain new results under various settings. When the model parameter at each period is drawn from identical distributions, we derive state-of-art regret bound that improves previous bounds under special cases. Our algorithm is also robust to adversarial corruptions of model parameter realizations. When the model parameters are drawn from unknown non-stationary distributions and we are given prior estimates of the distributions, we develop a new algorithm from our framework with a regret $O(W_T+\sqrt{T})$, where $W_T$ measures the total inaccuracy of the prior estimates.

We discover restrained numerical instabilities in current training practices of deep networks with stochastic gradient descent (SGD). We show numerical error (on the order of the smallest floating point bit) induced from floating point arithmetic in training deep nets can be amplified significantly and result in significant test accuracy variance, comparable to the test accuracy variance due to stochasticity in SGD. We show how this is likely traced to instabilities of the optimization dynamics that are restrained, i.e., localized over iterations and regions of the weight tensor space. We do this by presenting a theoretical framework using numerical analysis of partial differential equations (PDE), and analyzing the gradient descent PDE of convolutional neural networks (CNNs). We show that it is stable only under certain conditions on the learning rate and weight decay. We show that rather than blowing up when the conditions are violated, the instability can be restrained. We show this is a consequence of the non-linear PDE associated with the gradient descent of the CNN, whose local linearization changes when over-driving the step size of the discretization, resulting in a stabilizing effect. We link restrained instabilities to the recently discovered Edge of Stability (EoS) phenomena, in which the stable step size predicted by classical theory is exceeded while continuing to optimize the loss and still converging. Because restrained instabilities occur at the EoS, our theory provides new predictions about the EoS, in particular, the role of regularization and the dependence on the network complexity.

We introduce prediction-powered inference $\unicode{x2013}$ a framework for performing valid statistical inference when an experimental data set is supplemented with predictions from a machine-learning system. Our framework yields provably valid conclusions without making any assumptions on the machine-learning algorithm that supplies the predictions. Higher accuracy of the predictions translates to smaller confidence intervals, permitting more powerful inference. Prediction-powered inference yields simple algorithms for computing valid confidence intervals for statistical objects such as means, quantiles, and linear and logistic regression coefficients. We demonstrate the benefits of prediction-powered inference with data sets from proteomics, genomics, electronic voting, remote sensing, census analysis, and ecology.

Generative Adversarial Networks (GANs) are capable of synthesizing high-quality facial images. Despite their success, GANs do not provide any information about the relationship between the input vectors and the generated images. Currently, facial GANs are trained on imbalanced datasets, which generate less diverse images. For example, more than 77% of 100K images that we randomly synthesized using the StyleGAN3 are classified as Happy, and only around 3% are Angry. The problem even becomes worse when a mixture of facial attributes is desired: less than 1% of the generated samples are Angry Woman, and only around 2% are Happy Black. To address these problems, this paper proposes a framework, called GANalyzer, for the analysis, and manipulation of the latent space of well-trained GANs. GANalyzer consists of a set of transformation functions designed to manipulate latent vectors for a specific facial attribute such as facial Expression, Age, Gender, and Race. We analyze facial attribute entanglement in the latent space of GANs and apply the proposed transformation for editing the disentangled facial attributes. Our experimental results demonstrate the strength of GANalyzer in editing facial attributes and generating any desired faces. We also create and release a balanced photo-realistic human face dataset. Our code is publicly available on GitHub.

Predictor-based Neural Architecture Search (NAS) employs an architecture performance predictor to improve the sample efficiency. However, predictor-based NAS suffers from the severe ``cold-start'' problem, since a large amount of architecture-performance data is required to get a working predictor. In this paper, we focus on exploiting information in cheaper-to-obtain performance estimations (i.e., low-fidelity information) to mitigate the large data requirements of predictor training. Despite the intuitiveness of this idea, we observe that using inappropriate low-fidelity information even damages the prediction ability and different search spaces have different preferences for low-fidelity information types. To solve the problem and better fuse beneficial information provided by different types of low-fidelity information, we propose a novel dynamic ensemble predictor framework that comprises two steps. In the first step, we train different sub-predictors on different types of available low-fidelity information to extract beneficial knowledge as low-fidelity experts. In the second step, we learn a gating network to dynamically output a set of weighting coefficients conditioned on each input neural architecture, which will be used to combine the predictions of different low-fidelity experts in a weighted sum. The overall predictor is optimized on a small set of actual architecture-performance data to fuse the knowledge from different low-fidelity experts to make the final prediction. We conduct extensive experiments across five search spaces with different architecture encoders under various experimental settings. Our method can easily be incorporated into existing predictor-based NAS frameworks to discover better architectures.

Polyp segmentation within colonoscopy video frames using deep learning models has the potential to automate the workflow of clinicians. This could help improve the early detection rate and characterization of polyps which could progress to colorectal cancer. Recent state-of-the-art deep learning polyp segmentation models have combined the outputs of Fully Convolutional Network architectures and Transformer Network architectures which work in parallel. In this paper we propose modifications to the current state-of-the-art polyp segmentation model FCBFormer. The transformer architecture of the FCBFormer is replaced with a SwinV2 Transformer-UNET and minor changes to the Fully Convolutional Network architecture are made to create the FCB-SwinV2 Transformer. The performance of the FCB-SwinV2 Transformer is evaluated on the popular colonoscopy segmentation bench-marking datasets Kvasir-SEG and CVC-ClinicDB. Generalizability tests are also conducted. The FCB-SwinV2 Transformer is able to consistently achieve higher mDice scores across all tests conducted and therefore represents new state-of-the-art performance. Issues found with how colonoscopy segmentation model performance is evaluated within literature are also re-ported and discussed. One of the most important issues identified is that when evaluating performance on the CVC-ClinicDB dataset it would be preferable to ensure no data leakage from video sequences occurs during the training/validation/test data partition.

We provide a theoretical justification for sample recovery using diffusion based image inpainting in a linear model setting. While most inpainting algorithms require retraining with each new mask, we prove that diffusion based inpainting generalizes well to unseen masks without retraining. We analyze a recently proposed popular diffusion based inpainting algorithm called RePaint (Lugmayr et al., 2022), and show that it has a bias due to misalignment that hampers sample recovery even in a two-state diffusion process. Motivated by our analysis, we propose a modified RePaint algorithm we call RePaint$^+$ that provably recovers the underlying true sample and enjoys a linear rate of convergence. It achieves this by rectifying the misalignment error present in drift and dispersion of the reverse process. To the best of our knowledge, this is the first linear convergence result for a diffusion based image inpainting algorithm.

Nonlinear dynamics is ubiquitous in nature and commonly seen in various science and engineering disciplines. Distilling analytical expressions that govern nonlinear dynamics from limited data remains vital but challenging. To tackle this fundamental issue, we propose a novel Symbolic Physics Learner (SPL) machine to discover the mathematical structure of nonlinear dynamics. The key concept is to interpret mathematical operations and system state variables by computational rules and symbols, establish symbolic reasoning of mathematical formulas via expression trees, and employ a Monte Carlo tree search (MCTS) agent to explore optimal expression trees based on measurement data. The MCTS agent obtains an optimistic selection policy through the traversal of expression trees, featuring the one that maps to the arithmetic expression of underlying physics. Salient features of the proposed framework include search flexibility and enforcement of parsimony for discovered equations. The efficacy and superiority of the SPL machine are demonstrated by numerical examples, compared with state-of-the-art baselines.

Safety goes first. Meeting and maintaining industry safety standards for robustness of artificial intelligence (AI) and machine learning (ML) models require continuous monitoring for faults and performance drops. Deep learning models are widely used in industrial applications, e.g., computer vision, but the susceptibility of their performance to environment changes (e.g., noise) \emph{after deployment} on the product, are now well-known. A major challenge is detecting data distribution shifts that happen, comparing the following: {\bf (i)} development stage of AI and ML models, i.e., train/validation/test, to {\bf (ii)} deployment stage on the product (i.e., even after `testing') in the environment. We focus on a computer vision example related to autonomous driving and aim at detecting shifts that occur as a result of adding noise to images. We use the population stability index (PSI) as a measure of presence and intensity of shift and present results of our empirical experiments showing a promising potential for the PSI. We further discuss multiple aspects of model monitoring and robustness that need to be analyzed \emph{simultaneously} to achieve robustness for industry safety standards. We propose the need for and the research direction toward \emph{categorizations} of problem classes and examples where monitoring for robustness is required and present challenges and pointers for future work from a \emph{practical} perspective.

We present two new classes of algorithms for efficient field integration on graphs encoding point clouds. The first class, SeparatorFactorization(SF), leverages the bounded genus of point cloud mesh graphs, while the second class, RFDiffusion(RFD), uses popular epsilon-nearest-neighbor graph representations for point clouds. Both can be viewed as providing the functionality of Fast Multipole Methods (FMMs), which have had a tremendous impact on efficient integration, but for non-Euclidean spaces. We focus on geometries induced by distributions of walk lengths between points (e.g., shortest-path distance). We provide an extensive theoretical analysis of our algorithms, obtaining new results in structural graph theory as a byproduct. We also perform exhaustive empirical evaluation, including on-surface interpolation for rigid and deformable objects (particularly for mesh-dynamics modeling), Wasserstein distance computations for point clouds, and the Gromov-Wasserstein variant.

Obesity is a common issue in modern societies today that can lead to various diseases and significantly reduced quality of life. Currently, research has been conducted to investigate resting state EEG (electroencephalogram) signals with an aim to identify possible neurological characteristics associated with obesity. In this study, we propose a deep learning-based framework to extract the resting state EEG features for obese and lean subject classification. Specifically, a novel variational autoencoder framework is employed to extract subject-invariant features from the raw EEG signals, which are then classified by a 1-D convolutional neural network. Comparing with conventional machine learning and deep learning methods, we demonstrate the superiority of using VAE for feature extraction, as reflected by the significantly improved classification accuracies, better visualizations and reduced impurity measures in the feature representations. Future work can be directed to gaining an in-depth understanding regarding the spatial patterns that have been learned by the proposed model from a neurological view, as well as improving the interpretability of the proposed model by allowing it to uncover any temporal-related information.

Objective: Reflex testing protocols allow clinical laboratories to perform second line diagnostic tests on existing specimens based on the results of initially ordered tests. Reflex testing can support optimal clinical laboratory test ordering and diagnosis. In current clinical practice, reflex testing typically relies on simple "if-then" rules; however, this limits their scope since most test ordering decisions involve more complexity than a simple rule will allow. Here, using the analyte ferritin as an example, we propose an alternative machine learning-based approach to "smart" reflex testing with a wider scope and greater impact than traditional rule-based approaches. Methods: Using patient data, we developed a machine learning model to predict whether a patient getting CBC testing will also have ferritin testing ordered, consider applications of this model to "smart" reflex testing, and evaluate the model by comparing its performance to possible rule-based approaches. Results: Our underlying machine learning models performed moderately well in predicting ferritin test ordering and demonstrated greater suitability to reflex testing than rule-based approaches. Using chart review, we demonstrate that our model may improve ferritin test ordering. Finally, as a secondary goal, we demonstrate that ferritin test results are missing not at random (MNAR), a finding with implications for unbiased imputation of missing test results. Conclusions: Machine learning may provide a foundation for new types of reflex testing with enhanced benefits for clinical diagnosis and laboratory utilization management.

We consider the optimisation of large and shallow neural networks via gradient flow, where the output of each hidden node is scaled by some positive parameter. We focus on the case where the node scalings are non-identical, differing from the classical Neural Tangent Kernel (NTK) parameterisation. We prove that, for large neural networks, with high probability, gradient flow converges to a global minimum AND can learn features, unlike in the NTK regime. We also provide experiments on synthetic and real-world datasets illustrating our theoretical results and showing the benefit of such scaling in terms of pruning and transfer learning.

Plant biomass estimation is critical due to the variability of different environmental factors and crop management practices associated with it. The assessment is largely impacted by the accurate prediction of different environmental sustainability indicators. A robust model to predict sustainability indicators is a must for the biomass community. This study proposes a robust model for biomass sustainability prediction by analyzing sustainability indicators using machine learning models. The prospect of ensemble learning was also investigated to analyze the regression problem. All experiments were carried out on a crop residue data from the Ohio state. Ten machine learning models, namely, linear regression, ridge regression, multilayer perceptron, k-nearest neighbors, support vector machine, decision tree, gradient boosting, random forest, stacking and voting, were analyzed to estimate three biomass sustainability indicators, namely soil erosion factor, soil conditioning index, and organic matter factor. The performance of the model was assessed using cross-correlation (R2), root mean squared error and mean absolute error metrics. The results showed that Random Forest was the best performing model to assess sustainability indicators. The analyzed model can now serve as a guide for assessing sustainability indicators in real time.

Understanding the accuracy limits of machine learning algorithms is essential for data scientists to properly measure performance so they can continually improve their models' predictive capabilities. This study empirically verified the error bound of the AdaBoost algorithm for both synthetic and real-world data. The results show that the error bound holds up in practice, demonstrating its efficiency and importance to a variety of applications. The corresponding source code is available at https://github.com/armanbolatov/adaboost_error_bound.

We propose a new generalization of neural networks with noncommutative $C^*$-algebra. An important feature of $C^*$-algebras is their noncommutative structure of products, but the existing $C^*$-algebra net frameworks have only considered commutative $C^*$-algebras. We show that this noncommutative structure of $C^*$-algebras induces powerful effects in learning neural networks. Our framework has a wide range of applications, such as learning multiple related neural networks simultaneously with interactions and learning invariant features with respect to group actions. We also show the validity of our framework numerically, which illustrates its potential power.  ( 2 min )

Reasoning in a complex and ambiguous environment is a key goal for Reinforcement Learning (RL) agents. While some sophisticated RL agents can successfully solve difficult tasks, they require a large amount of training data and often struggle to generalize to new unseen environments and new tasks. On the other hand, Large Scale Language Models (LSLMs) have exhibited strong reasoning ability and the ability to to adapt to new tasks through in-context learning. However, LSLMs do not inherently have the ability to interrogate or intervene on the environment. In this work, we investigate how to combine these complementary abilities in a single system consisting of three parts: a Planner, an Actor, and a Reporter. The Planner is a pre-trained language model that can issue commands to a simple embodied agent (the Actor), while the Reporter communicates with the Planner to inform its next command. We present a set of tasks that require reasoning, test this system's ability to generalize zero-shot and investigate failure cases, and demonstrate how components of this system can be trained with reinforcement-learning to improve performance.

Molecular dynamic simulations are important in computational physics, chemistry, material, and biology. Machine learning-based methods have shown strong abilities in predicting molecular energy and properties and are much faster than DFT calculations. Molecular energy is at least related to atoms, bonds, bond angles, torsion angles, and nonbonding atom pairs. Previous Transformer models only use atoms as inputs which lack explicit modeling of the aforementioned factors. To alleviate this limitation, we propose Moleformer, a novel Transformer architecture that takes nodes (atoms) and edges (bonds and nonbonding atom pairs) as inputs and models the interactions among them using rotational and translational invariant geometry-aware spatial encoding. Proposed spatial encoding calculates relative position information including distances and angles among nodes and edges. We benchmark Moleformer on OC20 and QM9 datasets, and our model achieves state-of-the-art on the initial state to relaxed energy prediction of OC20 and is very competitive in QM9 on predicting quantum chemical properties compared to other Transformer and Graph Neural Network (GNN) methods which proves the effectiveness of the proposed geometry-aware spatial encoding in Moleformer.

The problem of efficient approximation of a linear operator induced by the Gaussian or softmax kernel is often addressed using random features (RFs) which yield an unbiased approximation of the operator's result. Such operators emerge in important applications ranging from kernel methods to efficient Transformers. We propose parameterized, positive, non-trigonometric RFs which approximate Gaussian and softmax-kernels. In contrast to traditional RF approximations, parameters of these new methods can be optimized to reduce the variance of the approximation, and the optimum can be expressed in closed form. We show that our methods lead to variance reduction in practice ($e^{10}$-times smaller variance and beyond) and outperform previous methods in a kernel regression task. Using our proposed mechanism, we also present FAVOR#, a method for self-attention approximation in Transformers. We show that FAVOR# outperforms other random feature methods in speech modelling and natural language processing.

An emerging line of work has shown that machine-learned predictions are useful to warm-start algorithms for discrete optimization problems, such as bipartite matching. Previous studies have shown time complexity bounds proportional to some distance between a prediction and an optimal solution, which we can approximately minimize by learning predictions from past optimal solutions. However, such guarantees may not be meaningful when multiple optimal solutions exist. Indeed, the dual problem of bipartite matching and, more generally, $\text{L}$-/$\text{L}^\natural$-convex function minimization have arbitrarily many optimal solutions, making such prediction-dependent bounds arbitrarily large. To resolve this theoretically critical issue, we present a new warm-start-with-prediction framework for $\text{L}$-/$\text{L}^\natural$-convex function minimization. Our framework offers time complexity bounds proportional to the distance between a prediction and the set of all optimal solutions. The main technical difficulty lies in learning predictions that are provably close to sets of all optimal solutions, for which we present an online-gradient-descent-based method. We thus give the first polynomial-time learnability of predictions that can provably warm-start algorithms regardless of multiple optimal solutions.

Training complex machine learning (ML) architectures requires a compute and time consuming process of selecting the right optimizer and tuning its hyper-parameters. A new paradigm of learning optimizers from data has emerged as a better alternative to hand-designed ML optimizers. We propose Mnemosyne optimizer, that uses Performers: implicit low-rank attention Transformers. It can learn to train entire neural network architectures including other Transformers without any task-specific optimizer tuning. We show that Mnemosyne: (a) generalizes better than popular LSTM optimizer, (b) in particular can successfully train Vision Transformers (ViTs) while meta--trained on standard MLPs and (c) can initialize optimizers for faster convergence in Robotics applications. We believe that these results open the possibility of using Transformers to build foundational optimization models that can address the challenges of regular Transformer training. We complement our results with an extensive theoretical analysis of the compact associative memory used by Mnemosyne.  ( 2 min )

Current state-of-the-art causal models for link prediction assume an underlying set of inherent node factors -- an innate characteristic defined at the node's birth -- that governs the causal evolution of links in the graph. In some causal tasks, however, link formation is path-dependent, i.e., the outcome of link interventions depends on existing links. For instance, in the customer-product graph of an online retailer, the effect of an 85-inch TV ad (treatment) likely depends on whether the costumer already has an 85-inch TV. Unfortunately, existing causal methods are impractical in these scenarios. The cascading functional dependencies between links (due to path dependence) are either unidentifiable or require an impractical number of control variables. In order to remedy this shortcoming, this work develops the first causal model capable of dealing with path dependencies in link prediction. It introduces the concept of causal lifting, an invariance in causal models that, when satisfied, allows the identification of causal link prediction queries using limited interventional data. On the estimation side, we show how structural pairwise embeddings -- a type of symmetry-based joint representation of node pairs in a graph -- exhibit lower bias and correctly represent the causal structure of the task, as opposed to existing node embedding methods, e.g., GNNs and matrix factorization. Finally, we validate our theoretical findings on four datasets under three different scenarios for causal link prediction tasks: knowledge base completion, covariance matrix estimation and consumer-product recommendations.  ( 2 min )

De novo molecular generation is an essential task for science discovery. Recently, fragment-based deep generative models have attracted much research attention due to their flexibility in generating novel molecules based on existing molecule fragments. However, the motif vocabulary, i.e., the collection of frequent fragments, is usually built upon heuristic rules, which brings difficulties to capturing common substructures from large amounts of molecules. In this work, we propose a new method, MiCaM, to generate molecules based on mined connection-aware motifs. Specifically, it leverages a data-driven algorithm to automatically discover motifs from a molecule library by iteratively merging subgraphs based on their frequency. The obtained motif vocabulary consists of not only molecular motifs (i.e., the frequent fragments), but also their connection information, indicating how the motifs are connected with each other. Based on the mined connection-aware motifs, MiCaM builds a connection-aware generator, which simultaneously picks up motifs and determines how they are connected. We test our method on distribution-learning benchmarks (i.e., generating novel molecules to resemble the distribution of a given training set) and goal-directed benchmarks (i.e., generating molecules with target properties), and achieve significant improvements over previous fragment-based baselines. Furthermore, we demonstrate that our method can effectively mine domain-specific motifs for different tasks.  ( 2 min )

In realistic compressed sensing (CS) scenarios, the obtained measurements usually have to be quantized to a finite number of bits before transmission and/or storage, thus posing a challenge in recovery, especially for extremely coarse quantization such as 1-bit sign measurements. Recently Meng & Kabashima proposed an efficient quantized compressed sensing algorithm called QCS-SGM using the score-based generative models as an implicit prior. Thanks to the power of score-based generative models in capturing the rich structure of the prior, QCS-SGM achieves remarkably better performances than previous quantized CS methods. However, QCS-SGM is restricted to (approximately) row-orthogonal sensing matrices since otherwise the likelihood score becomes intractable. To address this challenging problem, in this paper we propose an improved version of QCS-SGM, which we call QCS-SGM+, which also works well for general matrices. The key idea is a Bayesian inference perspective of the likelihood score computation, whereby an expectation propagation algorithm is proposed to approximately compute the likelihood score. Experiments on a variety of baseline datasets demonstrate that the proposed QCS-SGM+ outperforms QCS-SGM by a large margin when sensing matrices are far from row-orthogonal.

This study used a multigrid-based convolutional neural network architecture known as MgNet in operator learning to solve numerical partial differential equations (PDEs). Given the property of smoothing iterations in multigrid methods where low-frequency errors decay slowly, we introduced a low-frequency correction structure for residuals to enhance the standard V-cycle MgNet. The enhanced MgNet model can capture the low-frequency features of solutions considerably better than the standard V-cycle MgNet. The numerical results obtained using some standard operator learning tasks are better than those obtained using many state-of-the-art methods, demonstrating the efficiency of our model.Moreover, numerically, our new model is more robust in case of low- and high-resolution data during training and testing, respectively.

We study the interpolation, or memorization, power of deep ReLU neural networks. Specifically, we consider the question of how efficiently, in terms of the number of parameters, deep ReLU networks can interpolate values at $N$ datapoints in the unit ball which are separated by a distance $\delta$. We show that $\Omega(N)$ parameters are required in the regime where $\delta$ is exponentially small in $N$, which gives the sharp result in this regime since $O(N)$ parameters are always sufficient. This also shows that the bit-extraction technique used to prove lower bounds on the VC dimension cannot be applied to irregularly spaced datapoints.

Recent progress in scaling up large language models has shown impressive capabilities in performing few-shot learning across a wide range of text-based tasks. However, a key limitation is that these language models fundamentally lack visual perception - a crucial attribute needed to extend these models to be able to interact with the real world and solve vision tasks, such as in visual-question answering and robotics. Prior works have largely connected image to text through pretraining and/or fine-tuning on curated image-text datasets, which can be a costly and expensive process. In order to resolve this limitation, we propose a simple yet effective approach called Language-Quantized AutoEncoder (LQAE), a modification of VQ-VAE that learns to align text-image data in an unsupervised manner by leveraging pretrained language models (e.g., BERT, RoBERTa). Our main idea is to encode image as sequences of text tokens by directly quantizing image embeddings using a pretrained language codebook. We then apply random masking followed by a BERT model, and have the decoder reconstruct the original image from BERT predicted text token embeddings. By doing so, LQAE learns to represent similar images with similar clusters of text tokens, thereby aligning these two modalities without the use of aligned text-image pairs. This enables few-shot image classification with large language models (e.g., GPT-3) as well as linear classification of images based on BERT text features. To the best of our knowledge, our work is the first work that uses unaligned images for multimodal tasks by leveraging the power of pretrained language models.

Out-of-distribution (OOD) generalization, where the model needs to handle distribution shifts from training, is a major challenge of machine learning. Recently, contrastive language-image pre-training (CLIP) models have shown impressive zero-shot ability, revealing a promising path toward OOD generalization. However, to boost upon zero-shot performance, further adaptation of CLIP on downstream tasks is indispensable but undesirably degrades OOD generalization ability. In this paper, we aim at generalizing CLIP to out-of-distribution test data on downstream tasks. Beyond the two canonical OOD situations, domain shift and open class, we tackle a more general but difficult in-the-wild setting where both OOD situations may occur on the unseen test data. We propose CLIPood, a simple fine-tuning method that can adapt CLIP models to all OOD situations. To exploit semantic relations between classes from the text modality, CLIPood introduces a new training objective, margin metric softmax (MMS), with class adaptive margins for fine-tuning. Moreover, to incorporate both the pre-trained zero-shot model and the fine-tuned task-adaptive model, CLIPood proposes a new Beta moving average (BMA) to maintain a temporal ensemble according to Beta distribution. Experiments on diverse datasets with different OOD scenarios show that CLIPood consistently outperforms existing generalization techniques.

Enabling resilient autonomous motion planning requires robust predictions of surrounding road users' future behavior. In response to this need and the associated challenges, we introduce our model, titled MTP-GO. The model encodes the scene using temporal graph neural networks to produce the inputs to an underlying motion model. The motion model is implemented using neural ordinary differential equations where the state-transition functions are learned with the rest of the model. Multi-modal probabilistic predictions are provided by combining the concept of mixture density networks and Kalman filtering. The results illustrate the predictive capabilities of the proposed model across various data sets, outperforming several state-of-the-art methods on a number of metrics.  ( 2 min )

The message passing-based graph neural networks (GNNs) have achieved great success in many real-world applications. However, training GNNs on large-scale graphs suffers from the well-known neighbor explosion problem, i.e., the exponentially increasing dependencies of nodes with the number of message passing layers. Subgraph-wise sampling methods -- a promising class of mini-batch training techniques -- discard messages outside the mini-batches in backward passes to avoid the neighbor explosion problem at the expense of gradient estimation accuracy. This poses significant challenges to their convergence analysis and convergence speeds, which seriously limits their reliable real-world applications. To address this challenge, we propose a novel subgraph-wise sampling method with a convergence guarantee, namely Local Message Compensation (LMC). To the best of our knowledge, LMC is the {\it first} subgraph-wise sampling method with provable convergence. The key idea of LMC is to retrieve the discarded messages in backward passes based on a message passing formulation of backward passes. By efficient and effective compensations for the discarded messages in both forward and backward passes, LMC computes accurate mini-batch gradients and thus accelerates convergence. We further show that LMC converges to first-order stationary points of GNNs. Experiments on large-scale benchmark tasks demonstrate that LMC significantly outperforms state-of-the-art subgraph-wise sampling methods in terms of efficiency.  ( 2 min )

It is well known that the finite step-size ($h$) in Gradient Descent (GD) implicitly regularizes solutions to flatter minima. A natural question to ask is "Does the momentum parameter $\beta$ play a role in implicit regularization in Heavy-ball (H.B) momentum accelerated gradient descent (GD+M)?". To answer this question, first, we show that the discrete H.B momentum update (GD+M) follows a continuous trajectory induced by a modified loss, which consists of an original loss and an implicit regularizer. Then, we show that this implicit regularizer for (GD+M) is stronger than that of (GD) by factor of $(\frac{1+\beta}{1-\beta})$, thus explaining why (GD+M) shows better generalization performance and higher test accuracy than (GD). Furthermore, we extend our analysis to the stochastic version of gradient descent with momentum (SGD+M) and characterize the continuous trajectory of the update of (SGD+M) in a pointwise sense. We explore the implicit regularization in (SGD+M) and (GD+M) through a series of experiments validating our theory.

Sparse linear models are a gold standard tool for interpretable machine learning, a field of emerging importance as predictive models permeate decision-making in many domains. Unfortunately, sparse linear models are far less flexible as functions of their input features than black-box models like deep neural networks. With this capability gap in mind, we study a not-uncommon situation where the input features dichotomize into two groups: explanatory features, which we wish to explain the model's predictions, and contextual features, which we wish to determine the model's explanations. This dichotomy leads us to propose the contextual lasso, a new statistical estimator that fits a sparse linear model whose sparsity pattern and coefficients can vary with the contextual features. The fitting process involves learning a nonparametric map, realized via a deep neural network, from contextual feature vector to sparse coefficient vector. To attain sparse coefficients, we train the network with a novel lasso regularizer in the form of a projection layer that maps the network's output onto the space of $\ell_1$-constrained linear models. Extensive experiments on real and synthetic data suggest that the learned models, which remain highly transparent, can be sparser than the regular lasso without sacrificing the predictive power of a standard deep neural network.

Monte Carlo simulations of physics processes at particle colliders like the Large Hadron Collider at CERN take up a major fraction of the computational budget. For some simulations, a single data point takes seconds, minutes, or even hours to compute from first principles. Since the necessary number of data points per simulation is on the order of $10^9$ - $10^{12}$, machine learning regressors can be used in place of physics simulators to significantly reduce this computational burden. However, this task requires high-precision regressors that can deliver data with relative errors of less than $1\%$ or even $0.1\%$ over the entire domain of the function. In this paper, we develop optimal training strategies and tune various machine learning regressors to satisfy the high-precision requirement. We leverage symmetry arguments from particle physics to optimize the performance of the regressors. Inspired by ResNets, we design a Deep Neural Network with skip connections that outperform fully connected Deep Neural Networks. We find that at lower dimensions, boosted decision trees far outperform neural networks while at higher dimensions neural networks perform significantly better. We show that these regressors can speed up simulations by a factor of $10^3$ - $10^6$ over the first-principles computations currently used in Monte Carlo simulations. Additionally, using symmetry arguments derived from particle physics, we reduce the number of regressors necessary for each simulation by an order of magnitude. Our work can significantly reduce the training and storage burden of Monte Carlo simulations at current and future collider experiments.

Movement is how people interact with and affect their environment. For realistic character animation, it is necessary to synthesize such interactions between virtual characters and their surroundings. Despite recent progress in character animation using machine learning, most systems focus on controlling an agent's movements in fairly simple and homogeneous environments, with limited interactions with other objects. Furthermore, many previous approaches that synthesize human-scene interactions require significant manual labeling of the training data. In contrast, we present a system that uses adversarial imitation learning and reinforcement learning to train physically-simulated characters that perform scene interaction tasks in a natural and life-like manner. Our method learns scene interaction behaviors from large unstructured motion datasets, without manual annotation of the motion data. These scene interactions are learned using an adversarial discriminator that evaluates the realism of a motion within the context of a scene. The key novelty involves conditioning both the discriminator and the policy networks on scene context. We demonstrate the effectiveness of our approach through three challenging scene interaction tasks: carrying, sitting, and lying down, which require coordination of a character's movements in relation to objects in the environment. Our policies learn to seamlessly transition between different behaviors like idling, walking, and sitting. By randomizing the properties of the objects and their placements during training, our method is able to generalize beyond the objects and scenarios depicted in the training dataset, producing natural character-scene interactions for a wide variety of object shapes and placements. The approach takes physics-based character motion generation a step closer to broad applicability.

Recent innovations on hardware (e.g. Nvidia A100) have motivated learning N:M structured sparsity masks from scratch for fast model inference. However, state-of-the-art learning recipes in this regime (e.g. SR-STE) are proposed for non-adaptive optimizers like momentum SGD, while incurring non-trivial accuracy drop for Adam-trained models like attention-based LLMs. In this paper, we first demonstrate such gap origins from poorly estimated second moment (i.e. variance) in Adam states given by the masked weights. We conjecture that learning N:M masks with Adam should take the critical regime of variance estimation into account. In light of this, we propose STEP, an Adam-aware recipe that learns N:M masks with two phases: first, STEP calculates a reliable variance estimate (precondition phase) and subsequently, the variance remains fixed and is used as a precondition to learn N:M masks (mask-learning phase). STEP automatically identifies the switching point of two phases by dynamically sampling variance changes over the training trajectory and testing the sample concentration. Empirically, we evaluate STEP and other baselines such as ASP and SR-STE on multiple tasks including CIFAR classification, machine translation and LLM fine-tuning (BERT-Base, GPT-2). We show STEP mitigates the accuracy drop of baseline recipes and is robust to aggressive structured sparsity ratios.  ( 2 min )

The growing interest in complex decision-making and language modeling problems highlights the importance of sample-efficient learning over very long horizons. This work takes a step in this direction by investigating contextual linear bandits where the current reward depends on at most $s$ prior actions and contexts (not necessarily consecutive), up to a time horizon of $h$. In order to avoid polynomial dependence on $h$, we propose new algorithms that leverage sparsity to discover the dependence pattern and arm parameters jointly. We consider both the data-poor ($T<h$) and data-rich ($T\ge h$) regimes, and derive respective regret upper bounds $\tilde O(d\sqrt{sT} +\min\{ q, T\})$ and $\tilde O(\sqrt{sdT})$, with sparsity $s$, feature dimension $d$, total time horizon $T$, and $q$ that is adaptive to the reward dependence pattern. Complementing upper bounds, we also show that learning over a single trajectory brings inherent challenges: While the dependence pattern and arm parameters form a rank-1 matrix, circulant matrices are not isometric over rank-1 manifolds and sample complexity indeed benefits from the sparse reward dependence structure. Our results necessitate a new analysis to address long-range temporal dependencies across data and avoid polynomial dependence on the reward horizon $h$. Specifically, we utilize connections to the restricted isometry property of circulant matrices formed by dependent sub-Gaussian vectors and establish new guarantees that are also of independent interest.

The accurate prediction and estimation of annual snow accumulation has grown in importance as we deal with the effects of climate change and the increase of global atmospheric temperatures. Airborne radar sensors, such as the Snow Radar, are able to measure accumulation rate patterns at a large-scale and monitor the effects of ongoing climate change on Greenland's precipitation and run-off. The Snow Radar's use of an ultra-wide bandwidth enables a fine vertical resolution that helps in capturing internal ice layers. Given the amount of snow accumulation in previous years using the radar data, in this paper, we propose a machine learning model based on recurrent graph convolutional networks to predict the snow accumulation in recent consecutive years at a certain location. We found that the model performs better and with more consistency than equivalent nongeometric and nontemporal models.

The process of generating data such as images is controlled by independent and unknown factors of variation. The retrieval of these variables has been studied extensively in the disentanglement, causal representation learning, and independent component analysis fields. Recently, approaches merging these domains together have shown great success. Instead of directly representing the factors of variation, the problem of disentanglement can be seen as finding the interventions on one image that yield a change to a single factor. Following this assumption, we introduce a new method for disentanglement inspired by causal dynamics that combines causality theory with vector-quantized variational autoencoders. Our model considers the quantized vectors as causal variables and links them in a causal graph. It performs causal interventions on the graph and generates atomic transitions affecting a unique factor of variation in the image. We also introduce a new task of action retrieval that consists of finding the action responsible for the transition between two images. We test our method on standard synthetic and real-world disentanglement datasets. We show that it can effectively disentangle the factors of variation and perform precise interventions on high-level semantic attributes of an image without affecting its quality, even with imbalanced data distributions.

In recent years, deep learning methods have achieved great success in various fields due to their strong performance in practical applications. In this paper, we present a light-weight neural network for Parkinson's disease diagnostics, in which a series of hand-drawn data are collected to distinguish Parkinson's disease patients from healthy control subjects. The proposed model consists of a convolution neural network (CNN) cascading to long-short-term memory (LSTM) to adapt the characteristics of collected time-series signals. To make full use of their advantages, a multilayered LSTM model is firstly used to enrich features which are then concatenated with raw data and fed into a shallow one-dimensional (1D) CNN model for efficient classification. Experimental results show that the proposed model achieves a high-quality diagnostic result over multiple evaluation metrics with much fewer parameters and operations, outperforming conventional methods such as support vector machine (SVM), random forest (RF), lightgbm (LGB) and CNN-based methods.

Meta-learning usually refers to a learning algorithm that learns from other learning algorithms. The problem of uncertainty in the predictions of neural networks shows that the world is only partially predictable and a learned neural network cannot generalize to its ever-changing surrounding environments. Therefore, the question is how a predictive model can represent multiple predictions simultaneously. We aim to provide a fundamental understanding of learning to learn in the contents of Decentralized Neural Networks (Decentralized NNs) and we believe this is one of the most important questions and prerequisites to building an autonomous intelligence machine. To this end, we shall demonstrate several pieces of evidence for tackling the problems above with Meta Learning in Decentralized NNs. In particular, we will present three different approaches to building such a decentralized learning system: (1) learning from many replica neural networks, (2) building the hierarchy of neural networks for different functions, and (3) leveraging different modality experts to learn cross-modal representations.

Many real-world multi-label prediction problems involve set-valued predictions that must satisfy specific requirements dictated by downstream usage. We focus on a typical scenario where such requirements, separately encoding \textit{value} and \textit{cost}, compete with each other. For instance, a hospital might expect a smart diagnosis system to capture as many severe, often co-morbid, diseases as possible (the value), while maintaining strict control over incorrect predictions (the cost). We present a general pipeline, dubbed as FavMac, to maximize the value while controlling the cost in such scenarios. FavMac can be combined with almost any multi-label classifier, affording distribution-free theoretical guarantees on cost control. Moreover, unlike prior works, FavMac can handle real-world large-scale applications via a carefully designed online update mechanism, which is of independent interest. Our methodological and theoretical contributions are supported by experiments on several healthcare tasks and synthetic datasets - FavMac furnishes higher value compared with several variants and baselines while maintaining strict cost control.

In many areas of science and engineering, computer simulations are widely used as proxies for physical experiments, which can be infeasible or unethical. Such simulations can often be computationally expensive, and an emulator can be trained to efficiently predict the desired response surface. A widely-used emulator is the Gaussian process (GP), which provides a flexible framework for efficient prediction and uncertainty quantification. Standard GPs, however, do not capture structured sparsity on the underlying response surface, which is present in many applications, particularly in the physical sciences. We thus propose a new hierarchical shrinkage GP (HierGP), which incorporates such structure via cumulative shrinkage priors within a GP framework. We show that the HierGP implicitly embeds the well-known principles of effect sparsity, heredity and hierarchy for analysis of experiments, which allows our model to identify structured sparse features from the response surface with limited data. We propose efficient posterior sampling algorithms for model training and prediction, and prove desirable consistency properties for the HierGP. Finally, we demonstrate the improved performance of HierGP over existing models, in a suite of numerical experiments and an application to dynamical system recovery.

The privacy preserving properties of Langevin dynamics with additive isotropic noise have been extensively studied. However, the isotropic noise assumption is very restrictive: (a) when adding noise to existing learning algorithms to preserve privacy and maintain the best possible accuracy one should take into account the relative magnitude of the outputs and their correlations; (b) popular algorithms such as stochastic gradient descent (and their continuous time limits) appear to possess anisotropic covariance properties. To study the privacy risks for the anisotropic noise case, one requires general results on the relative entropy between the laws of two Stochastic Differential Equations with different drifts and diffusion coefficients. Our main contribution is to establish such a bound using stability estimates for solutions to the Fokker-Planck equations via functional inequalities. With additional assumptions, the relative entropy bound implies an $(\epsilon,\delta)$-differential privacy bound. We discuss the practical implications of our bound related to privacy risk in different contexts.Finally, the benefits of anisotropic noise are illustrated using numerical results on optimising a quadratic loss or calibrating a neural network.

The field of compositional generalization is currently experiencing a renaissance in AI, as novel problem settings and algorithms motivated by various practical applications are being introduced, building on top of the classical compositional generalization problem. This article aims to provide a comprehensive review of top recent developments in multiple real-life applications of the compositional generalization. Specifically, we introduce a taxonomy of common applications and summarize the state-of-the-art for each of those domains. Furthermore, we identify important current trends and provide new perspectives pertaining to the future of this burgeoning field.  ( 2 min )

Classical results establish that ensembles of small models benefit when predictive diversity is encouraged, through bagging, boosting, and similar. Here we demonstrate that this intuition does not carry over to ensembles of deep neural networks used for classification, and in fact the opposite can be true. Unlike regression models or small (unconfident) classifiers, predictions from large (confident) neural networks concentrate in vertices of the probability simplex. Thus, decorrelating these points necessarily moves the ensemble prediction away from vertices, harming confidence and moving points across decision boundaries. Through large scale experiments, we demonstrate that diversity-encouraging regularizers hurt the performance of high-capacity deep ensembles used for classification. Even more surprisingly, discouraging predictive diversity can be beneficial. Together this work strongly suggests that the best strategy for deep ensembles is utilizing more accurate, but likely less diverse, component models.

The recently proposed Quantum Neuron Born Machine (QNBM) has demonstrated quality initial performance as the first quantum generative machine learning (ML) model proposed with non-linear activations. However, previous investigations have been limited in scope with regards to the model's learnability and simulatability. In this work, we make a considerable leap forward by providing an extensive deep dive into the QNBM's potential as a generative model. We first demonstrate that the QNBM's network representation makes it non-trivial to be classically efficiently simulated. Following this result, we showcase the model's ability to learn (express and train on) a wider set of probability distributions, and benchmark the performance against a classical Restricted Boltzmann Machine (RBM). The QNBM is able to outperform this classical model on all distributions, even for the most optimally trained RBM among our simulations. Specifically, the QNBM outperforms the RBM with an improvement factor of 75.3x, 6.4x, and 3.5x for the discrete Gaussian, cardinality-constrained, and Bars and Stripes distributions respectively. Lastly, we conduct an initial investigation into the model's generalization capabilities and use a KL test to show that the model is able to approximate the ground truth probability distribution more closely than the training distribution when given access to a limited amount of data. Overall, we put forth a stronger case in support of using the QNBM for larger-scale generative tasks.

Causal inference has numerous real-world applications in many domains, such as health care, marketing, political science, and online advertising. Treatment effect estimation, a fundamental problem in causal inference, has been extensively studied in statistics for decades. However, traditional treatment effect estimation methods may not well handle large-scale and high-dimensional heterogeneous data. In recent years, an emerging research direction has attracted increasing attention in the broad artificial intelligence field, which combines the advantages of traditional treatment effect estimation approaches (e.g., propensity score, matching, and reweighing) and advanced machine learning approaches (e.g., representation learning, adversarial learning, and graph neural networks). Although the advanced machine learning approaches have shown extraordinary performance in treatment effect estimation, it also comes with a lot of new topics and new research questions. In view of the latest research efforts in the causal inference field, we provide a comprehensive discussion of challenges and opportunities for the three core components of the treatment effect estimation task, i.e., treatment, covariates, and outcome. In addition, we showcase the promising research directions of this topic from multiple perspectives.

In this paper, we present a novel interpretation of the so-called Weisfeiler-Lehman (WL) distance, introduced by Chen et al. (2022), using concepts from stochastic processes. The WL distance aims at comparing graphs with node features, has the same discriminative power as the classic Weisfeiler-Lehman graph isomorphism test and has deep connections to the Gromov-Wasserstein distance. This new interpretation connects the WL distance to the literature on distances for stochastic processes, which also makes the interpretation of the distance more accessible and intuitive. We further explore the connections between the WL distance and certain Message Passing Neural Networks, and discuss the implications of the WL distance for understanding the Lipschitz property and the universal approximation results for these networks.

It can be difficult to identify trends and perform quality control in large, high-dimensional fMRI or omics datasets. To remedy this, we develop ImageNomer, a data visualization and analysis tool that allows inspection of both subject-level and cohort-level features. The tool allows visualization of phenotype correlation with functional connectivity (FC), partial connectivity (PC), dictionary components (PCA and our own method), and genomic data (single-nucleotide polymorphisms, SNPs). In addition, it allows visualization of weights from arbitrary ML models. ImageNomer is built with a Python backend and a Vue frontend. We validate ImageNomer using the Philadelphia Neurodevelopmental Cohort (PNC) dataset, which contains multitask fMRI and SNP data of healthy adolescents. Using correlation, greedy selection, or model weights, we find that a set of 10 FC features can explain 15% of variation in age, compared to 35% for the full 34,716 feature model. The four most significant FCs are either between bilateral default mode network (DMN) regions or spatially proximal subcortical areas. Additionally, we show that whereas both FC (fMRI) and SNPs (genomic) features can account for 10-15% of intelligence variation, this predictive ability disappears when controlling for race. We find that FC features can be used to predict race with 85% accuracy, compared to 78% accuracy for sex prediction. Using ImageNomer, this work casts doubt on the possibility of finding unbiased intelligence-related features in fMRI and SNPs of healthy adolescents.

In many learning applications, the parameters in a model are structurally constrained in a way that can be modeled as them lying on a Riemannian manifold. Riemannian optimization, wherein procedures to enforce an iterative minimizing sequence to be constrained to the manifold, is used to train such models. At the same time, tame geometry has become a significant topological description of nonsmooth functions that appear in the landscapes of training neural networks and other important models with structural compositions of continuous nonlinear functions with nonsmooth maps. In this paper, we study the properties of such stratifiable functions on a manifold and the behavior of retracted stochastic gradient descent, with diminishing stepsizes, for minimizing such functions.

Modern reinforcement learning (RL) often faces an enormous state-action space. Existing analytical results are typically for settings with a small number of state-actions, or simple models such as linearly modeled Q-functions. To derive statistically efficient RL policies handling large state-action spaces, with more general Q-functions, some recent works have considered nonlinear function approximation using kernel ridge regression. In this work, we derive sample complexities for kernel based Q-learning when a generative model exists. We propose a nonparametric Q-learning algorithm which finds an $\epsilon$-optimal policy in an arbitrarily large scale discounted MDP. The sample complexity of the proposed algorithm is order optimal with respect to $\epsilon$ and the complexity of the kernel (in terms of its information gain). To the best of our knowledge, this is the first result showing a finite sample complexity under such a general model.

The Shapley value is arguably the most popular approach for assigning a meaningful contribution value to players in a cooperative game, which has recently been used intensively in various areas of machine learning, most notably in explainable artificial intelligence. The meaningfulness is due to axiomatic properties that only the Shapley value satisfies, which, however, comes at the expense of an exact computation growing exponentially with the number of agents. Accordingly, a number of works are devoted to the efficient approximation of the Shapley values, all of which revolve around the notion of an agent's marginal contribution. In this paper, we propose with SVARM and Stratified SVARM two parameter-free and domain-independent approximation algorithms based on a representation of the Shapley value detached from the notion of marginal contributions. We prove unmatched theoretical guarantees regarding their approximation quality and provide satisfying empirical results.

Many real-world systems can be described by mathematical formulas that are human-comprehensible, easy to analyze and can be helpful in explaining the system's behaviour. Symbolic regression is a method that generates nonlinear models from data in the form of analytic expressions. Historically, symbolic regression has been predominantly realized using genetic programming, a method that iteratively evolves a population of candidate solutions that are sampled by genetic operators crossover and mutation. This gradient-free evolutionary approach suffers from several deficiencies: it does not scale well with the number of variables and samples in the training data, models tend to grow in size and complexity without an adequate accuracy gain, and it is hard to fine-tune the inner model coefficients using just genetic operators. Recently, neural networks have been applied to learn the whole analytic formula, i.e., its structure as well as the coefficients, by means of gradient-based optimization algorithms. We propose a novel neural network-based symbolic regression method that constructs physically plausible models based on limited training data and prior knowledge about the system. The method employs an adaptive weighting scheme to effectively deal with multiple loss function terms and an epoch-wise learning process to reduce the chance of getting stuck in poor local optima. Furthermore, we propose a parameter-free method for choosing the model with the best interpolation and extrapolation performance out of all models generated through the whole learning process. We experimentally evaluate the approach on the TurtleBot 2 mobile robot, the magnetic manipulation system, the equivalent resistance of two resistors in parallel, and the anti-lock braking system. The results clearly show the potential of the method to find sparse and accurate models that comply with the prior knowledge provided.

Deep learning has made tremendous progress in the last decade. A key success factor is the large amount of architectures, layers, objectives, and optimization techniques that have emerged in recent years. They include a myriad of variants related to attention, normalization, skip connection, transformer and self-supervised learning schemes -- to name a few. We provide a comprehensive overview of the most important, recent works in these areas to those who already have a basic understanding of deep learning. We hope that a holistic and unified treatment of influential, recent works helps researchers to form new connections between diverse areas of deep learning.

Deep learning models achieve excellent performance in numerous machine learning tasks. Yet, they suffer from security-related issues such as adversarial examples and poisoning (backdoor) attacks. A deep learning model may be poisoned by training with backdoored data or by modifying inner network parameters. Then, a backdoored model performs as expected when receiving a clean input, but it misclassifies when receiving a backdoored input stamped with a pre-designed pattern called "trigger". Unfortunately, it is difficult to distinguish between clean and backdoored models without prior knowledge of the trigger. This paper proposes a backdoor detection method by utilizing a special type of adversarial attack, universal adversarial perturbation (UAP), and its similarities with a backdoor trigger. We observe an intuitive phenomenon: UAPs generated from backdoored models need fewer perturbations to mislead the model than UAPs from clean models. UAPs of backdoored models tend to exploit the shortcut from all classes to the target class, built by the backdoor trigger. We propose a novel method called Universal Soldier for Backdoor detection (USB) and reverse engineering potential backdoor triggers via UAPs. Experiments on 345 models trained on several datasets show that USB effectively detects the injected backdoor and provides comparable or better results than state-of-the-art methods.

Recent studies have proven that DNNs, unlike human vision, tend to exploit texture information rather than shape. Such texture bias is one of the factors for the poor generalization performance of DNNs. We observe that the texture bias negatively affects not only in-domain generalization but also out-of-distribution generalization, i.e., Domain Generalization. Motivated by the observation, we propose a new framework to reduce the texture bias of a model by a novel optimization-based data augmentation, dubbed Stylized Dream. Our framework utilizes adaptive instance normalization (AdaIN) to augment the style of an original image yet preserve the content. We then adopt a regularization loss to predict consistent outputs between Stylized Dream and original images, which encourages the model to learn shape-based representations. Extensive experiments show that the proposed method achieves state-of-the-art performance in out-of-distribution settings on public benchmark datasets: PACS, VLCS, OfficeHome, TerraIncognita, and DomainNet.  ( 2 min )

Current evaluations of Continual Learning (CL) methods typically assume that there is no constraint on training time and computation. This is an unrealistic assumption for any real-world setting, which motivates us to propose: a practical real-time evaluation of continual learning, in which the stream does not wait for the model to complete training before revealing the next data for predictions. To do this, we evaluate current CL methods with respect to their computational costs. We hypothesize that under this new evaluation paradigm, computationally demanding CL approaches may perform poorly on streams with a varying distribution. We conduct extensive experiments on CLOC, a large-scale dataset containing 39 million time-stamped images with geolocation labels. We show that a simple baseline outperforms state-of-the-art CL methods under this evaluation, questioning the applicability of existing methods in realistic settings. In addition, we explore various CL components commonly used in the literature, including memory sampling strategies and regularization approaches. We find that all considered methods fail to be competitive against our simple baseline. This surprisingly suggests that the majority of existing CL literature is tailored to a specific class of streams that is not practical. We hope that the evaluation we provide will be the first step towards a paradigm shift to consider the computational cost in the development of online continual learning methods.  ( 2 min )

Robust Markov Decision Processes (MDPs) are getting more attention for learning a robust policy which is less sensitive to environment changes. There are an increasing number of works analyzing sample-efficiency of robust MDPs. However, most works study robust MDPs in a model-based regime, where the transition probability needs to be estimated and requires $\mathcal{O}(|\mathcal{S}|^2|\mathcal{A}|)$ storage in memory. A common way to solve robust MDPs is to formulate them as a distributionally robust optimization (DRO) problem. However, solving a DRO problem is non-trivial, so prior works typically assume a strong oracle to obtain the optimal solution of the DRO problem easily. To remove the need for an oracle, we first transform the original robust MDPs into an alternative form, as the alternative form allows us to use stochastic gradient methods to solve the robust MDPs. Moreover, we prove the alternative form still preserves the role of robustness. With this new formulation, we devise a sample-efficient algorithm to solve the robust MDPs in a model-free regime, from which we benefit lower memory space $\mathcal{O}(|\mathcal{S}||\mathcal{A}|)$ without using the oracle. Finally, we validate our theoretical findings via numerical experiments and show the efficiency to solve the alternative form of robust MDPs.

In this paper, we propose a novel data-driven operator learning framework referred to as the \textit{Randomized Prior Wavelet Neural Operator} (RP-WNO). The proposed RP-WNO is an extension of the recently proposed wavelet neural operator, which boasts excellent generalizing capabilities but cannot estimate the uncertainty associated with its predictions. RP-WNO, unlike the vanilla WNO, comes with inherent uncertainty quantification module and hence, is expected to be extremely useful for scientists and engineers alike. RP-WNO utilizes randomized prior networks, which can account for prior information and is easier to implement for large, complex deep-learning architectures than its Bayesian counterpart. Four examples have been solved to test the proposed framework, and the results produced advocate favorably for the efficacy of the proposed framework.  ( 2 min )

In systems governed by nonlinear partial differential equations such as fluid flows, the design of state estimators such as Kalman filters relies on a reduced-order model (ROM) that projects the original high-dimensional dynamics onto a computationally tractable low-dimensional space. However, ROMs are prone to large errors, which negatively affects the performance of the estimator. Here, we introduce the reinforcement learning reduced-order estimator (RL-ROE), a ROM-based estimator in which the correction term that takes in the measurements is given by a nonlinear policy trained through reinforcement learning. The nonlinearity of the policy enables the RL-ROE to compensate efficiently for errors of the ROM, while still taking advantage of the imperfect knowledge of the dynamics. Using examples involving the Burgers and Navier-Stokes equations, we show that in the limit of very few sensors, the trained RL-ROE outperforms a Kalman filter designed using the same ROM. Moreover, it yields accurate high-dimensional state estimates for reference trajectories corresponding to various physical parameter values, without direct knowledge of the latter.  ( 2 min )

Despite its outstanding performance in various graph tasks, vanilla Message Passing Neural Network (MPNN) usually fails in link prediction tasks, as it only uses representations of two individual target nodes and ignores the pairwise relation between them. To capture the pairwise relations, some models add manual features to the input graph and use the output of MPNN to produce pairwise representations. In contrast, others directly use manual features as pairwise representations. Though this simplification avoids applying a GNN to each link individually and thus improves scalability, these models still have much room for performance improvement due to the hand-crafted and unlearnable pairwise features. To upgrade performance while maintaining scalability, we propose Neural Common Neighbor (NCN), which uses learnable pairwise representations. To further boost NCN, we study the unobserved link problem. The incompleteness of the graph is ubiquitous and leads to distribution shifts between the training and test set, loss of common neighbor information, and performance degradation of models. Therefore, we propose two intervention methods: common neighbor completion and target link removal. Combining the two methods with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins. NCNC achieves state-of-the-art performance in link prediction tasks.  ( 2 min )

Spiking neural networks are becoming increasingly popular for their low energy requirement in real-world tasks with accuracy comparable to the traditional ANNs. SNN training algorithms face the loss of gradient information and non-differentiability due to the Heaviside function in minimizing the model loss over model parameters. To circumvent the problem surrogate method uses a differentiable approximation of the Heaviside in the backward pass, while the forward pass uses the Heaviside as the spiking function. We propose to use the zeroth order technique at the neuron level to resolve this dichotomy and use it within the automatic differentiation tool. As a result, we establish a theoretical connection between the proposed local zeroth-order technique and the existing surrogate methods and vice-versa. The proposed method naturally lends itself to energy-efficient training of SNNs on GPUs. Experimental results with neuromorphic datasets show that such implementation requires less than 1 percent neurons to be active in the backward pass, resulting in a 100x speed-up in the backward computation time. Our method offers better generalization compared to the state-of-the-art energy-efficient technique while maintaining similar efficiency.  ( 2 min )

Automated vehicles (AVs) are tested in diverse scenarios, typically specified by parameters such as velocities, distances, or curve radii. To describe scenarios uniformly independent of such parameters, this paper proposes a vectorized scenario description defined by the road geometry and vehicles' trajectories. Data of this form are generated for three scenarios, merged, and used to train the motion prediction model VectorNet, allowing to predict an AV's trajectory for unseen scenarios. Predicting scenario evaluation metrics, VectorNet partially achieves lower errors than regression models that separately process the three scenarios' data. However, for comprehensive generalization, sufficient variance in the training data must be ensured. Thus, contrary to existing methods, our proposed method can merge diverse scenarios' data and exploit spatial and temporal nuances in the vectorized scenario description. As a result, data from specified test scenarios and real-world scenarios can be compared and combined for (predictive) analyses and scenario selection.  ( 2 min )

In this work, we propose a deep learning approach to forecasting state-level COVID-19 trends of weekly cumulative death in the United States (US) and incident cases in Germany. This approach includes a transformer model, an ensemble method, and a data augmentation technique for time series. We arrange the inputs of the transformer in such a way that predictions for different states can attend to the trends of the others. To overcome the issue of scarcity of training data for this COVID-19 pandemic, we have developed a novel data augmentation technique to generate useful data for training. More importantly, the generated data can also be used for model validation. As such, it has a two-fold advantage: 1) more actual observations can be used for training, and 2) the model can be validated on data which has distribution closer to the expected situation. Our model has achieved some of the best state-level results on the COVID-19 Forecast Hub for the US and for Germany.  ( 2 min )

Graphs consisting of vocal nodes ("the vocal minority") and silent nodes ("the silent majority"), namely VS-Graph, are ubiquitous in the real world. The vocal nodes tend to have abundant features and labels. In contrast, silent nodes only have incomplete features and rare labels, e.g., the description and political tendency of politicians (vocal) are abundant while not for ordinary people (silent) on the twitter's social network. Predicting the silent majority remains a crucial yet challenging problem. However, most existing message-passing based GNNs assume that all nodes belong to the same domain, without considering the missing features and distribution-shift between domains, leading to poor ability to deal with VS-Graph. To combat the above challenges, we propose Knowledge Transferable Graph Neural Network (KT-GNN), which models distribution shifts during message passing and representation learning by transferring knowledge from vocal nodes to silent nodes. Specifically, we design the domain-adapted "feature completion and message passing mechanism" for node representation learning while preserving domain difference. And a knowledge transferable classifier based on KL-divergence is followed. Comprehensive experiments on real-world scenarios (i.e., company financial risk assessment and political elections) demonstrate the superior performance of our method. Our source code has been open sourced.

This paper describes deep learning models based on convolutional neural networks applied to the problem of predicting EM wave propagation over rural terrain. A surface integral equation formulation, solved with the method of moments and accelerated using the Fast Far Field approximation, is used to generate synthetic training data which comprises path loss computed over randomly generated 1D terrain profiles. These are used to train two networks, one based on fractal profiles and one based on profiles generated using a Gaussian process. The models show excellent agreement when applied to test profiles generated using the same statistical process used to create the training data and very good accuracy when applied to real life problems.

In this article, we present our approach to personalizing Etsy Ads through encoding and learning from short-term (one-hour) sequences of user actions and diverse representations. To this end we introduce a three-component adSformer diversifiable personalization module (ADPM) and illustrate how we use this module to derive a short-term dynamic user representation and personalize the Click-Through Rate (CTR) and Post-Click Conversion Rate (PCCVR) models used in sponsored search (ad) ranking. The first component of the ADPM is a custom transformer encoder that learns the inherent structure from the sequence of actions. ADPM's second component enriches the signal through visual, multimodal and textual pretrained representations. Lastly, the third ADPM component includes a "learned" on the fly average pooled representation. The ADPM-personalized CTR and PCCVR models, henceforth referred to as adSformer CTR and adSformer PCCVR, outperform the CTR and PCCVR production baselines by $+6.65\%$ and $+12.70\%$, respectively, in offline Precision-Recall Area Under the Curve (PR AUC). At the time of this writing, following the online gains in A/B tests, such as $+5.34\%$ in return on ad spend, a seller success metric, we are ramping up the adSformers to $100\%$ traffic in Etsy Ads.

In recent years, Reinforcement Learning (RL) has been applied to real-world problems with increasing success. Such applications often require to put constraints on the agent's behavior. Existing algorithms for constrained RL (CRL) rely on gradient descent-ascent, but this approach comes with a caveat. While these algorithms are guaranteed to converge on average, they do not guarantee last-iterate convergence, i.e., the current policy of the agent may never converge to the optimal solution. In practice, it is often observed that the policy alternates between satisfying the constraints and maximizing the reward, rarely accomplishing both objectives simultaneously. Here, we address this problem by introducing Reinforcement Learning with Optimistic Ascent-Descent (ReLOAD), a principled CRL method with guaranteed last-iterate convergence. We demonstrate its empirical effectiveness on a wide variety of CRL problems including discrete MDPs and continuous control. In the process we establish a benchmark of challenging CRL problems.

Predicting the motion of dynamic agents is a critical task for guaranteeing the safety of autonomous systems. A particular challenge is that motion prediction algorithms should obey dynamics constraints and quantify prediction uncertainty as a measure of confidence. We present a physics-constrained approach for motion prediction which uses a surrogate dynamical model to ensure that predicted trajectories are dynamically feasible. We propose a two-step integration consisting of intent and trajectory prediction subject to dynamics constraints. We also construct prediction regions that quantify uncertainty and are tailored for autonomous driving by using conformal prediction, a popular statistical tool. Physics Constrained Motion Prediction achieves a 41% better ADE, 56% better FDE, and 19% better IoU over a baseline in experiments using an autonomous racing dataset.  ( 2 min )

We investigate the problem of unconstrained combinatorial multi-armed bandits with full-bandit feedback and stochastic rewards for submodular maximization. Previous works investigate the same problem assuming a submodular and monotone reward function. In this work, we study a more general problem, i.e., when the reward function is not necessarily monotone, and the submodularity is assumed only in expectation. We propose Randomized Greedy Learning (RGL) algorithm and theoretically prove that it achieves a $\frac{1}{2}$-regret upper bound of $\tilde{\mathcal{O}}(n T^{\frac{2}{3}})$ for horizon $T$ and number of arms $n$. We also show in experiments that RGL empirically outperforms other full-bandit variants in submodular and non-submodular settings.

We propose $\textsf{ScaledGD($\lambda$)}$, a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, $\textsf{ScaledGD($\lambda$)}$ starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, $\textsf{ScaledGD($\lambda$)}$ is remarkably robust to ill-conditioning compared to vanilla gradient descent ($\textsf{GD}$) even with overprameterization. Specifically, we show that, under the Gaussian design, $\textsf{ScaledGD($\lambda$)}$ converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla $\textsf{GD}$ which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.

Bayesian Neural Networks (BNNs) can overcome the problem of overconfidence that plagues traditional frequentist deep neural networks, and are hence considered to be a key enabler for reliable AI systems. However, conventional hardware realizations of BNNs are resource intensive, requiring the implementation of random number generators for synaptic sampling. Owing to their inherent stochasticity during programming and read operations, nanoscale memristive devices can be directly leveraged for sampling, without the need for additional hardware resources. In this paper, we introduce a novel Phase Change Memory (PCM)-based hardware implementation for BNNs with binary synapses. The proposed architecture consists of separate weight and noise planes, in which PCM cells are configured and operated to represent the nominal values of weights and to generate the required noise for sampling, respectively. Using experimentally observed PCM noise characteristics, for the exemplary Breast Cancer Dataset classification problem, we obtain hardware accuracy and expected calibration error matching that of an 8-bit fixed-point (FxP8) implementation, with projected savings of over 9$\times$ in terms of core area transistor count.

A number of recent adaptive optimizers improve the generalisation performance of Adam by essentially reducing the variance of adaptive stepsizes to get closer to SGD with momentum. Following the above motivation, we suppress the range of the adaptive stepsizes of Adam by exploiting the layerwise gradient statistics. In particular, at each iteration, we propose to perform three consecutive operations on the second momentum v_t before using it to update a DNN model: (1): down-scaling, (2): epsilon-embedding, and (3): down-translating. The resulting algorithm is referred to as SET-Adam, where SET is a brief notation of the three operations. The down-scaling operation on v_t is performed layerwise by making use of the angles between the layerwise subvectors of v_t and the corresponding all-one subvectors. Extensive experimental results show that SET-Adam outperforms eight adaptive optimizers when training transformers and LSTMs for NLP, and VGG and ResNet for image classification over CIAF10 and CIFAR100 while matching the best performance of the eight adaptive methods when training WGAN-GP models for image generation tasks. Furthermore, SET-Adam produces higher validation accuracies than Adam and AdaBelief for training ResNet18 over ImageNet.  ( 2 min )

Thanks to the ubiquitous deployment of Wi-Fi hotspots, channel state information (CSI)-based Wi-Fi sensing can unleash game-changing applications in many fields, such as healthcare, security, and entertainment. However, despite one decade of active research on Wi-Fi sensing, most existing work only considers legacy IEEE 802.11n devices, often in particular and strictly-controlled environments. Worse yet, there is a fundamental lack of understanding of the impact on CSI-based sensing of modern Wi-Fi features, such as 160-MHz bandwidth, multiple-input multiple-output (MIMO) transmissions, and increased spectral resolution in IEEE 802.11ax (Wi-Fi 6). This work aims to shed light on the impact of Wi-Fi 6 features on the sensing performance and to create a benchmark for future research on Wi-Fi sensing. To this end, we perform an extensive CSI data collection campaign involving 3 individuals, 3 environments, and 12 activities, using Wi-Fi 6 signals. An anonymized ground truth obtained through video recording accompanies our 80-GB dataset, which contains almost two hours of CSI data from three collectors. We leverage our dataset to dissect the performance of a state-of-the-art sensing framework across different environments and individuals. Our key findings suggest that (i) MIMO transmissions and higher spectral resolution might be more beneficial than larger bandwidth for sensing applications; (ii) there is a pressing need to standardize research on Wi-Fi sensing because the path towards a truly environment-independent framework is still uncertain. To ease the experiments' replicability and address the current lack of Wi-Fi 6 CSI datasets, we release our 80-GB dataset to the community.  ( 2 min )

We develop a deep learning methodology for the simultaneous discovery of multiple nontrivial continuous symmetries across an entire labelled dataset. The symmetry transformations and the corresponding generators are modeled with fully connected neural networks trained with a specially constructed loss function ensuring the desired symmetry properties. The two new elements in this work are the use of a reduced-dimensionality latent space and the generalization to transformations invariant with respect to high-dimensional oracles. The method is demonstrated with several examples on the MNIST digit dataset.  ( 2 min )

Multiagent reinforcement learning (MARL) has benefited significantly from population-based and game-theoretic training regimes. One approach, Policy-Space Response Oracles (PSRO), employs standard reinforcement learning to compute response policies via approximate best responses and combines them via meta-strategy selection. We augment PSRO by adding a novel search procedure with generative sampling of world states, and introduce two new meta-strategy solvers based on the Nash bargaining solution. We evaluate PSRO's ability to compute approximate Nash equilibrium, and its performance in two negotiation games: Colored Trails, and Deal or No Deal. We conduct behavioral studies where human participants negotiate with our agents ($N = 346$). We find that search with generative modeling finds stronger policies during both training time and test time, enables online Bayesian co-player prediction, and can produce agents that achieve comparable social welfare negotiating with humans as humans trading among themselves.

Reinforcement Learning (RL) with constraints is becoming an increasingly important problem for various applications. Often, the average criterion is more suitable. Yet, RL for average criterion-constrained MDPs remains a challenging problem. Algorithms designed for discounted constrained RL problems often do not perform well for the average CMDP setting. In this paper, we introduce a new (possibly the first) policy optimization algorithm for constrained MDPs with the average criterion. The Average-Constrained Policy Optimization (ACPO) algorithm is inspired by the famed PPO-type algorithms based on trust region methods. We develop basic sensitivity theory for average MDPs, and then use the corresponding bounds in the design of the algorithm. We provide theoretical guarantees on its performance, and through extensive experimental work in various challenging MuJoCo environments, show the superior performance of the algorithm when compared to other state-of-the-art algorithms adapted for the average CMDP setting.

Neural radiance fields (NeRF) excel at synthesizing new views given multi-view, calibrated images of a static scene. When scenes include distractors, which are not persistent during image capture (moving objects, lighting variations, shadows), artifacts appear as view-dependent effects or 'floaters'. To cope with distractors, we advocate a form of robust estimation for NeRF training, modeling distractors in training data as outliers of an optimization problem. Our method successfully removes outliers from a scene and improves upon our baselines, on synthetic and real-world scenes. Our technique is simple to incorporate in modern NeRF frameworks, with few hyper-parameters. It does not assume a priori knowledge of the types of distractors, and is instead focused on the optimization problem rather than pre-processing or modeling transient objects. More results on our page https://robustnerf.github.io/public.

Gradient Balancing (GraB) is a recently proposed technique that finds provably better data permutations when training models with multiple epochs over a finite dataset. It converges at a faster rate than the widely adopted Random Reshuffling, by minimizing the discrepancy of the gradients on adjacently selected examples. However, GraB only operates under critical assumptions such as small batch sizes and centralized data, leaving open the question of how to order examples at large scale -- i.e. distributed learning with decentralized data. To alleviate the limitation, in this paper we propose D-GraB that involves two novel designs: (1) $\textsf{PairBalance}$ that eliminates the requirement to use stale gradient mean in GraB which critically relies on small learning rates; (2) an ordering protocol that runs $\textsf{PairBalance}$ in a distributed environment with negligible overhead, which benefits from both data ordering and parallelism. We prove D-GraB enjoys linear speed up at rate $\tilde{O}((mnT)^{-2/3})$ on smooth non-convex objectives and $\tilde{O}((mnT)^{-2})$ under PL condition, where $n$ denotes the number of parallel workers, $m$ denotes the number of examples per worker and $T$ denotes the number of epochs. Empirically, we show on various applications including GLUE, CIFAR10 and WikiText-2 that D-GraB outperforms naive parallel GraB and Distributed Random Reshuffling in terms of both training and validation performance.

Quantum theory has shown its superiority in enhancing machine learning. However, facilitating quantum theory to enhance graph learning is in its infancy. This survey investigates the current advances in quantum graph learning (QGL) from three perspectives, i.e., underlying theories, methods, and prospects. We first look at QGL and discuss the mutualism of quantum theory and graph learning, the specificity of graph-structured data, and the bottleneck of graph learning, respectively. A new taxonomy of QGL is presented, i.e., quantum computing on graphs, quantum graph representation, and quantum circuits for graph neural networks. Pitfall traps are then highlighted and explained. This survey aims to provide a brief but insightful introduction to this emerging field, along with a detailed discussion of frontiers and outlook yet to be investigated.

Building and maintaining production-grade ML-enabled components is a complex endeavor that goes beyond the current approach of academic education, focused on the optimization of ML model performance in the lab. In this paper, we present a project-based learning approach to teaching MLOps, focused on the demonstration and experience with emerging practices and tools to automatize the construction of ML-enabled components. We examine the design of a course based on this approach, including laboratory sessions that cover the end-to-end ML component life cycle, from model building to production deployment. Moreover, we report on preliminary results from the first edition of the course. During the present year, an updated version of the same course is being delivered in two independent universities; the related learning outcomes will be evaluated to analyze the effectiveness of project-based learning for this specific subject.

Time series analysis is widely used in extensive areas. Recently, to reduce labeling expenses and benefit various tasks, self-supervised pre-training has attracted immense interest. One mainstream paradigm is masked modeling, which successfully pre-trains deep models by learning to reconstruct the masked content based on the unmasked part. However, since the semantic information of time series is mainly contained in temporal variations, the standard way of randomly masking a portion of time points will ruin vital temporal variations of time series seriously, making the reconstruction task too difficult to guide representation learning. We thus present SimMTM, a Simple pre-training framework for Masked Time-series Modeling. By relating masked modeling to manifold learning, SimMTM proposes to recover masked time points by the weighted aggregation of multiple neighbors outside the manifold, which eases the reconstruction task by assembling ruined but complementary temporal variations from multiple masked series. SimMTM further learns to uncover the local structure of the manifold helpful for masked modeling. Experimentally, SimMTM achieves state-of-the-art fine-tuning performance in two canonical time series analysis tasks: forecasting and classification, covering both in- and cross-domain settings.

Binary neural networks (BNNs) have received ever-increasing popularity for their great capability of reducing storage burden as well as quickening inference time. However, there is a severe performance drop compared with {real-valued} networks, due to its intrinsic frequent weight oscillation during training. In this paper, we introduce a Resilient Binary Neural Network (ReBNN) to mitigate the frequent oscillation for better BNNs' training. We identify that the weight oscillation mainly stems from the non-parametric scaling factor. To address this issue, we propose to parameterize the scaling factor and introduce a weighted reconstruction loss to build an adaptive training objective. %To the best of our knowledge, it is the first work to solve BNNs based on a dynamically re-weighted loss function. For the first time, we show that the weight oscillation is controlled by the balanced parameter attached to the reconstruction loss, which provides a theoretical foundation to parameterize it in back propagation. Based on this, we learn our ReBNN by {calculating} the {balanced} parameter {based on} its maximum magnitude, which can effectively mitigate the weight oscillation with a resilient training process. Extensive experiments are conducted upon various network models, such as ResNet and Faster-RCNN for computer vision, as well as BERT for natural language processing. The results demonstrate the overwhelming performance of our ReBNN over prior arts. For example, our ReBNN achieves 66.9\% Top-1 accuracy with ResNet-18 backbone on the ImageNet dataset, surpassing existing state-of-the-arts by a significant margin. Our code is open-sourced at https://github.com/SteveTsui/ReBNN.

Online meta-learning has recently emerged as a marriage between batch meta-learning and online learning, for achieving the capability of quick adaptation on new tasks in a lifelong manner. However, most existing approaches focus on the restrictive setting where the distribution of the online tasks remains fixed with known task boundaries. In this work, we relax these assumptions and propose a novel algorithm for task-agnostic online meta-learning in non-stationary environments. More specifically, we first propose two simple but effective detection mechanisms of task switches and distribution shift based on empirical observations, which serve as a key building block for more elegant online model updates in our algorithm: the task switch detection mechanism allows reusing of the best model available for the current task at hand, and the distribution shift detection mechanism differentiates the meta model update in order to preserve the knowledge for in-distribution tasks and quickly learn the new knowledge for out-of-distribution tasks. In particular, our online meta model updates are based only on the current data, which eliminates the need of storing previous data as required in most existing methods. We further show that a sublinear task-averaged regret can be achieved for our algorithm under mild conditions. Empirical studies on three different benchmarks clearly demonstrate the significant advantage of our algorithm over related baseline approaches.

The goal of causal representation learning is to find a representation of data that consists of causally related latent variables. We consider a setup where one has access to data from multiple domains that potentially share a causal representation. Crucially, observations in different domains are assumed to be unpaired, that is, we only observe the marginal distribution in each domain but not their joint distribution. In this paper, we give sufficient conditions for identifiability of the joint distribution and the shared causal graph in a linear setup. Identifiability holds if we can uniquely recover the joint distribution and the shared causal representation from the marginal distributions in each domain. We transform our identifiability results into a practical method to recover the shared latent causal graph. Moreover, we study how multiple domains reduce errors in falsely detecting shared causal variables in the finite data setting.

Background: To develop an artificial intelligence system that can accurately identify acute non-traumatic intracranial hemorrhage (ICH) etiology based on non-contrast CT (NCCT) scans and investigate whether clinicians can benefit from it in a diagnostic setting. Materials and Methods: The deep learning model was developed with 1868 eligible NCCT scans with non-traumatic ICH collected between January 2011 and April 2018. We tested the model on two independent datasets (TT200 and SD 98) collected after April 2018. The model's diagnostic performance was compared with clinicians's performance. We further designed a simulated study to compare the clinicians's performance with and without the deep learning system augmentation. Results: The proposed deep learning system achieved area under the receiver operating curve of 0.986 (95% CI 0.967-1.000) on aneurysms, 0.952 (0.917-0.987) on hypertensive hemorrhage, 0.950 (0.860-1.000) on arteriovenous malformation (AVM), 0.749 (0.586-0.912) on Moyamoya disease (MMD), 0.837 (0.704-0.969) on cavernous malformation (CM), and 0.839 (0.722-0.959) on other causes in TT200 dataset. Given a 90% specificity level, the sensitivities of our model were 97.1% and 90.9% for aneurysm and AVM diagnosis, respectively. The model also shows an impressive generalizability in an independent dataset SD98. The clinicians achieve significant improvements in the sensitivity, specificity, and accuracy of diagnoses of certain hemorrhage etiologies with proposed system augmentation. Conclusions: The proposed deep learning algorithms can be an effective tool for early identification of hemorrhage etiologies based on NCCT scans. It may also provide more information for clinicians for triage and further imaging examination selection.

Energy-based models have the natural advantage of flexibility in the form of the energy function. Recently, energy-based models have achieved great success in modeling high-dimensional data in computer vision and natural language processing. In accordance with these signs of progress, we build a versatile energy-based model for High Energy Physics events at the Large Hadron Collider. This framework builds on a powerful generative model and describes higher-order inter-particle interactions. It suits different encoding architectures and builds on implicit generation. As for applicational aspects, it can serve as a powerful parameterized event generator, a generic anomalous signal detector, and an augmented event classifier.

Online meta-learning has recently emerged as a marriage between batch meta-learning and online learning, for achieving the capability of quick adaptation on new tasks in a lifelong manner. However, most existing approaches focus on the restrictive setting where the distribution of the online tasks remains fixed with known task boundaries. In this work, we relax these assumptions and propose a novel algorithm for task-agnostic online meta-learning in non-stationary environments. More specifically, we first propose two simple but effective detection mechanisms of task switches and distribution shift based on empirical observations, which serve as a key building block for more elegant online model updates in our algorithm: the task switch detection mechanism allows reusing of the best model available for the current task at hand, and the distribution shift detection mechanism differentiates the meta model update in order to preserve the knowledge for in-distribution tasks and quickly learn the new knowledge for out-of-distribution tasks. In particular, our online meta model updates are based only on the current data, which eliminates the need of storing previous data as required in most existing methods. We further show that a sublinear task-averaged regret can be achieved for our algorithm under mild conditions. Empirical studies on three different benchmarks clearly demonstrate the significant advantage of our algorithm over related baseline approaches.

NDCG, namely Normalized Discounted Cumulative Gain, is a widely used ranking metric in information retrieval and machine learning. However, efficient and provable stochastic methods for maximizing NDCG are still lacking, especially for deep models. In this paper, we propose a principled approach to optimize NDCG and its top-$K$ variant. First, we formulate a novel compositional optimization problem for optimizing the NDCG surrogate, and a novel bilevel compositional optimization problem for optimizing the top-$K$ NDCG surrogate. Then, we develop efficient stochastic algorithms with provable convergence guarantees for the non-convex objectives. Different from existing NDCG optimization methods, the per-iteration complexity of our algorithms scales with the mini-batch size instead of the number of total items. To improve the effectiveness for deep learning, we further propose practical strategies by using initial warm-up and stop gradient operator. Experimental results on multiple datasets demonstrate that our methods outperform prior ranking approaches in terms of NDCG. To the best of our knowledge, this is the first time that stochastic algorithms are proposed to optimize NDCG with a provable convergence guarantee. Our proposed methods are implemented in the LibAUC library at https://libauc.org/.

Understanding the extent to which the perceptual world can be recovered from language is a fundamental problem in cognitive science. We reformulate this problem as that of distilling psychophysical information from text and show how this can be done by combining large language models (LLMs) with a classic psychophysical method based on similarity judgments. Specifically, we use the prompt auto-completion functionality of GPT3, a state-of-the-art LLM, to elicit similarity scores between stimuli and then apply multidimensional scaling to uncover their underlying psychological space. We test our approach on six perceptual domains and show that the elicited judgments strongly correlate with human data and successfully recover well-known psychophysical structures such as the color wheel and pitch spiral. We also explore meaningful divergences between LLM and human representations. Our work showcases how combining state-of-the-art machine models with well-known cognitive paradigms can shed new light on fundamental questions in perception and language research.

Motivated by time series forecasting, we study Online Linear Optimization (OLO) under the coupling of two problem structures: the domain is unbounded, and the performance of an algorithm is measured by its dynamic regret. Handling either of them requires the regret bound to depend on certain complexity measure of the comparator sequence -- specifically, the comparator norm in unconstrained OLO, and the path length in dynamic regret. In contrast to a recent work (Jacobsen & Cutkosky, 2022) that adapts to the combination of these two complexity measures, we propose an alternative complexity measure by recasting the problem into sparse coding. Adaptivity can be achieved by a simple modular framework, which naturally exploits more intricate prior knowledge of the environment. Along the way, we also present a new gradient adaptive algorithm for static unconstrained OLO, designed using novel continuous time machinery. This could be of independent interest.

I measure adaptation to climate change by comparing elasticities from short-run and long-run changes in damaging weather. I propose a debiased machine learning approach to flexibly measure these elasticities in panel settings. In a simulation exercise, I show that debiased machine learning has considerable benefits relative to standard machine learning or ordinary least squares, particularly in high-dimensional settings. I then measure adaptation to damaging heat exposure in United States corn and soy production. Using rich sets of temperature and precipitation variation, I find evidence that short-run impacts from damaging heat are significantly offset in the long run. I show that this is because the impacts of long-run changes in heat exposure do not follow the same functional form as short-run shocks to heat exposure.

We consider the problem of answering observational, interventional, and counterfactual queries in a causally sufficient setting where only observational data and the causal graph are available. Utilizing the recent developments in diffusion models, we introduce diffusion-based causal models (DCM) to learn causal mechanisms, that generate unique latent encodings to allow for direct sampling under interventions as well as abduction for counterfactuals. We utilize DCM to model structural equations, seeing that diffusion models serve as a natural candidate here since they encode each node to a latent representation, a proxy for the exogenous noise, and offer flexible and accurate modeling to provide reliable causal statements and estimates. Our empirical evaluations demonstrate significant improvements over existing state-of-the-art methods for answering causal queries. Our theoretical results provide a methodology for analyzing the counterfactual error for general encoder/decoder models which could be of independent interest.

Spatial data exhibits the property that nearby points are correlated. This also holds for learnt representations across layers, but not for commonly used weight initialization methods. Our theoretical analysis quantifies the learning behavior of weights of a single spatial filter. It is thus in contrast to a large body of work that discusses statistical properties of weights. It shows that uncorrelated initialization (i) might lead to poor convergence behavior and (ii) training of (some) parameters is likely subject to slow convergence. Empirical analysis shows that these findings for a single spatial filter extend to networks with many spatial filters. The impact of (correlated) initialization depends strongly on learning rates and l2-regularization.

Knowledge transfer is shown to be a very successful technique for training neural classifiers: together with the ground truth data, it uses the "privileged information" (PI) obtained by a "teacher" network to train a "student" network. It has been observed that classifiers learn much faster and more reliably via knowledge transfer. However, there has been little or no theoretical analysis of this phenomenon. To bridge this gap, we propose to approach the problem of knowledge transfer by regularizing the fit between the teacher and the student with PI provided by the teacher. Using tools from dynamical systems theory, we show that when the student is an extremely wide two layer network, we can analyze it in the kernel regime and show that it is able to interpolate between PI and the given data. This characterization sheds new light on the relation between the training error and capacity of the student relative to the teacher. Another contribution of the paper is a quantitative statement on the convergence of student network. We prove that the teacher reduces the number of required iterations for a student to learn, and consequently improves the generalization power of the student. We give corresponding experimental analysis that validates the theoretical results and yield additional insights.

Using gradient descent (GD) with fixed or decaying step-size is a standard practice in unconstrained optimization problems. However, when the loss function is only locally convex, such a step-size schedule artificially slows GD down as it cannot explore the flat curvature of the loss function. To overcome that issue, we propose to exponentially increase the step-size of the GD algorithm. Under homogeneous assumptions on the loss function, we demonstrate that the iterates of the proposed \emph{exponential step size gradient descent} (EGD) algorithm converge linearly to the optimal solution. Leveraging that optimization insight, we then consider using the EGD algorithm for solving parameter estimation under both regular and non-regular statistical models whose loss function becomes locally convex when the sample size goes to infinity. We demonstrate that the EGD iterates reach the final statistical radius within the true parameter after a logarithmic number of iterations, which is in stark contrast to a \emph{polynomial} number of iterations of the GD algorithm in non-regular statistical models. Therefore, the total computational complexity of the EGD algorithm is \emph{optimal} and exponentially cheaper than that of the GD for solving parameter estimation in non-regular statistical models while being comparable to that of the GD in regular statistical settings. To the best of our knowledge, it resolves a long-standing gap between statistical and algorithmic computational complexities of parameter estimation in non-regular statistical models. Finally, we provide targeted applications of the general theory to several classes of statistical models, including generalized linear models with polynomial link functions and location Gaussian mixture models.

While many solutions for privacy-preserving convex empirical risk minimization (ERM) have been developed, privacy-preserving nonconvex ERM remains a challenge. We study nonconvex ERM, which takes the form of minimizing a finite-sum of nonconvex loss functions over a training set. We propose a new differentially private stochastic gradient descent algorithm for nonconvex ERM that achieves strong privacy guarantees efficiently, and provide a tight analysis of its privacy and utility guarantees, as well as its gradient complexity. Our algorithm reduces gradient complexity while improves the best previous utility guarantee given by Wang et al. (NeurIPS 2017). Our experiments on benchmark nonconvex ERM problems demonstrate superior performance in terms of both training cost and utility gains compared with previous differentially private methods using the same privacy budgets.

In many areas of science and engineering, computer simulations are widely used as proxies for physical experiments, which can be infeasible or unethical. Such simulations can often be computationally expensive, and an emulator can be trained to efficiently predict the desired response surface. A widely-used emulator is the Gaussian process (GP), which provides a flexible framework for efficient prediction and uncertainty quantification. Standard GPs, however, do not capture structured sparsity on the underlying response surface, which is present in many applications, particularly in the physical sciences. We thus propose a new hierarchical shrinkage GP (HierGP), which incorporates such structure via cumulative shrinkage priors within a GP framework. We show that the HierGP implicitly embeds the well-known principles of effect sparsity, heredity and hierarchy for analysis of experiments, which allows our model to identify structured sparse features from the response surface with limited data. We propose efficient posterior sampling algorithms for model training and prediction, and prove desirable consistency properties for the HierGP. Finally, we demonstrate the improved performance of HierGP over existing models, in a suite of numerical experiments and an application to dynamical system recovery.

There has been significant recent progress in training differentially private (DP) models which achieve accuracy that approaches the best non-private models. These DP models are typically pretrained on large public datasets and then fine-tuned on downstream datasets that are (i) relatively large, and (ii) similar in distribution to the pretraining data. However, in many applications including personalization, it is crucial to perform well in the few-shot setting, as obtaining large amounts of labeled data may be problematic; and on images from a wide variety of domains for use in various specialist settings. To understand under which conditions few-shot DP can be effective, we perform an exhaustive set of experiments that reveals how the accuracy and vulnerability to attack of few-shot DP image classification models are affected as the number of shots per class, privacy level, model architecture, dataset, and subset of learnable parameters in the model vary. We show that to achieve DP accuracy on par with non-private models, the shots per class must be increased as the privacy level increases by as much as 32$\times$ for CIFAR-100 at $\epsilon=1$. We also find that few-shot non-private models are highly susceptible to membership inference attacks. DP provides clear mitigation against the attacks, but a small $\epsilon$ is required to effectively prevent them. Finally, we evaluate DP federated learning systems and establish state-of-the-art performance on the challenging FLAIR federated learning benchmark.

We consider the task of reconstructing polytopes with fixed facet directions from finitely many support function evaluations. We show that for a fixed simplicial normal fan the least-squares estimate is given by a convex quadratic program. We study the geometry of the solution set and give a combinatorial characterization for the uniqueness of the reconstruction in this case. We provide an algorithm that, under mild assumptions, converges to the unknown input shape as the number of noisy support function evaluations increases. We also discuss limitations of our results if the restriction on the normal fan is removed.

The growing interest in complex decision-making and language modeling problems highlights the importance of sample-efficient learning over very long horizons. This work takes a step in this direction by investigating contextual linear bandits where the current reward depends on at most $s$ prior actions and contexts (not necessarily consecutive), up to a time horizon of $h$. In order to avoid polynomial dependence on $h$, we propose new algorithms that leverage sparsity to discover the dependence pattern and arm parameters jointly. We consider both the data-poor ($T<h$) and data-rich ($T\ge h$) regimes, and derive respective regret upper bounds $\tilde O(d\sqrt{sT} +\min\{ q, T\})$ and $\tilde O(\sqrt{sdT})$, with sparsity $s$, feature dimension $d$, total time horizon $T$, and $q$ that is adaptive to the reward dependence pattern. Complementing upper bounds, we also show that learning over a single trajectory brings inherent challenges: While the dependence pattern and arm parameters form a rank-1 matrix, circulant matrices are not isometric over rank-1 manifolds and sample complexity indeed benefits from the sparse reward dependence structure. Our results necessitate a new analysis to address long-range temporal dependencies across data and avoid polynomial dependence on the reward horizon $h$. Specifically, we utilize connections to the restricted isometry property of circulant matrices formed by dependent sub-Gaussian vectors and establish new guarantees that are also of independent interest.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

Modern reinforcement learning (RL) often faces an enormous state-action space. Existing analytical results are typically for settings with a small number of state-actions, or simple models such as linearly modeled Q-functions. To derive statistically efficient RL policies handling large state-action spaces, with more general Q-functions, some recent works have considered nonlinear function approximation using kernel ridge regression. In this work, we derive sample complexities for kernel based Q-learning when a generative model exists. We propose a nonparametric Q-learning algorithm which finds an $\epsilon$-optimal policy in an arbitrarily large scale discounted MDP. The sample complexity of the proposed algorithm is order optimal with respect to $\epsilon$ and the complexity of the kernel (in terms of its information gain). To the best of our knowledge, this is the first result showing a finite sample complexity under such a general model.

Accurate estimation of the states of a nonlinear dynamical system is crucial for their design, synthesis, and analysis. Particle filters are estimators constructed by simulating trajectories from a sampling distribution and averaging them based on their importance weight. For particle filters to be computationally tractable, it must be feasible to simulate the trajectories by drawing from the sampling distribution. Simultaneously, these trajectories need to reflect the reality of the nonlinear dynamical system so that the resulting estimators are accurate. Thus, the crux of particle filters lies in designing sampling distributions that are both easy to sample from and lead to accurate estimators. In this work, we propose to learn the sampling distributions. We put forward four methods for learning sampling distributions from observed measurements. Three of the methods are parametric methods in which we learn the mean and covariance matrix of a multivariate Gaussian distribution; each methods exploits a different aspect of the data (generic, time structure, graph structure). The fourth method is a nonparametric alternative in which we directly learn a transform of a uniform random variable. All four methods are trained in an unsupervised manner by maximizing the likelihood that the states may have produced the observed measurements. Our computational experiments demonstrate that learned sampling distributions exhibit better performance than designed, minimum-degeneracy sampling distributions.

Robust Markov Decision Processes (MDPs) are getting more attention for learning a robust policy which is less sensitive to environment changes. There are an increasing number of works analyzing sample-efficiency of robust MDPs. However, most works study robust MDPs in a model-based regime, where the transition probability needs to be estimated and requires $\mathcal{O}(|\mathcal{S}|^2|\mathcal{A}|)$ storage in memory. A common way to solve robust MDPs is to formulate them as a distributionally robust optimization (DRO) problem. However, solving a DRO problem is non-trivial, so prior works typically assume a strong oracle to obtain the optimal solution of the DRO problem easily. To remove the need for an oracle, we first transform the original robust MDPs into an alternative form, as the alternative form allows us to use stochastic gradient methods to solve the robust MDPs. Moreover, we prove the alternative form still preserves the role of robustness. With this new formulation, we devise a sample-efficient algorithm to solve the robust MDPs in a model-free regime, from which we benefit lower memory space $\mathcal{O}(|\mathcal{S}||\mathcal{A}|)$ without using the oracle. Finally, we validate our theoretical findings via numerical experiments and show the efficiency to solve the alternative form of robust MDPs.  ( 2 min )

Many real-world multi-label prediction problems involve set-valued predictions that must satisfy specific requirements dictated by downstream usage. We focus on a typical scenario where such requirements, separately encoding \textit{value} and \textit{cost}, compete with each other. For instance, a hospital might expect a smart diagnosis system to capture as many severe, often co-morbid, diseases as possible (the value), while maintaining strict control over incorrect predictions (the cost). We present a general pipeline, dubbed as FavMac, to maximize the value while controlling the cost in such scenarios. FavMac can be combined with almost any multi-label classifier, affording distribution-free theoretical guarantees on cost control. Moreover, unlike prior works, FavMac can handle real-world large-scale applications via a carefully designed online update mechanism, which is of independent interest. Our methodological and theoretical contributions are supported by experiments on several healthcare tasks and synthetic datasets - FavMac furnishes higher value compared with several variants and baselines while maintaining strict cost control.  ( 2 min )

Current state-of-the-art causal models for link prediction assume an underlying set of inherent node factors -- an innate characteristic defined at the node's birth -- that governs the causal evolution of links in the graph. In some causal tasks, however, link formation is path-dependent, i.e., the outcome of link interventions depends on existing links. For instance, in the customer-product graph of an online retailer, the effect of an 85-inch TV ad (treatment) likely depends on whether the costumer already has an 85-inch TV. Unfortunately, existing causal methods are impractical in these scenarios. The cascading functional dependencies between links (due to path dependence) are either unidentifiable or require an impractical number of control variables. In order to remedy this shortcoming, this work develops the first causal model capable of dealing with path dependencies in link prediction. It introduces the concept of causal lifting, an invariance in causal models that, when satisfied, allows the identification of causal link prediction queries using limited interventional data. On the estimation side, we show how structural pairwise embeddings -- a type of symmetry-based joint representation of node pairs in a graph -- exhibit lower bias and correctly represent the causal structure of the task, as opposed to existing node embedding methods, e.g., GNNs and matrix factorization. Finally, we validate our theoretical findings on four datasets under three different scenarios for causal link prediction tasks: knowledge base completion, covariance matrix estimation and consumer-product recommendations.  ( 2 min )

A fundamental question in designing lossy data compression schemes is how well one can do in comparison with the rate-distortion function, which describes the known theoretical limits of lossy compression. Motivated by the empirical success of deep neural network (DNN) compressors on large, real-world data, we investigate methods to estimate the rate-distortion function on such data, which would allow comparison of DNN compressors with optimality. While one could use the empirical distribution of the data and apply the Blahut-Arimoto algorithm, this approach presents several computational challenges and inaccuracies when the datasets are large and high-dimensional, such as the case of modern image datasets. Instead, we re-formulate the rate-distortion objective, and solve the resulting functional optimization problem using neural networks. We apply the resulting rate-distortion estimator, called NERD, on popular image datasets, and provide evidence that NERD can accurately estimate the rate-distortion function. Using our estimate, we show that the rate-distortion achievable by DNN compressors are within several bits of the rate-distortion function for real-world datasets. Additionally, NERD provides access to the rate-distortion achieving channel, as well as samples from its output marginal. Therefore, using recent results in reverse channel coding, we describe how NERD can be used to construct an operational one-shot lossy compression scheme with guarantees on the achievable rate and distortion. Experimental results demonstrate competitive performance with DNN compressors.  ( 2 min )

We study the dynamics and implicit bias of gradient flow (GF) on univariate ReLU neural networks with a single hidden layer in a binary classification setting. We show that when the labels are determined by the sign of a target network with $r$ neurons, with high probability over the initialization of the network and the sampling of the dataset, GF converges in direction (suitably defined) to a network achieving perfect training accuracy and having at most $\mathcal{O}(r)$ linear regions, implying a generalization bound. Unlike many other results in the literature, under an additional assumption on the distribution of the data, our result holds even for mild over-parameterization, where the width is $\tilde{\mathcal{O}}(r)$ and independent of the sample size.  ( 2 min )

Off-policy evaluation (OPE) is a method for estimating the return of a target policy using some pre-collected observational data generated by a potentially different behavior policy. In some cases, there may be unmeasured variables that can confound the action-reward or action-next-state relationships, rendering many existing OPE approaches ineffective. This paper develops an instrumental variable (IV)-based method for consistent OPE in confounded Markov decision processes (MDPs). Similar to single-stage decision making, we show that IV enables us to correctly identify the target policy's value in infinite horizon settings as well. Furthermore, we propose an efficient and robust value estimator and illustrate its effectiveness through extensive simulations and analysis of real data from a world-leading short-video platform.  ( 2 min )

We study the interpolation, or memorization, power of deep ReLU neural networks. Specifically, we consider the question of how efficiently, in terms of the number of parameters, deep ReLU networks can interpolate values at $N$ datapoints in the unit ball which are separated by a distance $\delta$. We show that $\Omega(N)$ parameters are required in the regime where $\delta$ is exponentially small in $N$, which gives the sharp result in this regime since $O(N)$ parameters are always sufficient. This also shows that the bit-extraction technique used to prove lower bounds on the VC dimension cannot be applied to irregularly spaced datapoints.  ( 2 min )

Many industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown process characteristics, real-time optimization becomes challenging, particularly for the satisfaction of safety constraints. In this paper, we demonstrate the application of an adaptive and explorative real-time optimization framework to an industrial refrigeration process, where we learn the process characteristics through changes in process control targets and through exploration to satisfy safety constraints. We quantify the uncertainty in unknown compressor characteristics of the refrigeration plant by using Gaussian processes and incorporate this uncertainty into the objective function of the real-time optimization problem as a weighted cost term. We adaptively control the weight of this term to drive exploration. The results of our simulation experiments indicate the proposed approach can help to increase the energy efficiency of the considered refrigeration process, closely approximating the performance of a solution that has complete information about the compressor performance characteristics.  ( 2 min )

The problem of efficient approximation of a linear operator induced by the Gaussian or softmax kernel is often addressed using random features (RFs) which yield an unbiased approximation of the operator's result. Such operators emerge in important applications ranging from kernel methods to efficient Transformers. We propose parameterized, positive, non-trigonometric RFs which approximate Gaussian and softmax-kernels. In contrast to traditional RF approximations, parameters of these new methods can be optimized to reduce the variance of the approximation, and the optimum can be expressed in closed form. We show that our methods lead to variance reduction in practice ($e^{10}$-times smaller variance and beyond) and outperform previous methods in a kernel regression task. Using our proposed mechanism, we also present FAVOR#, a method for self-attention approximation in Transformers. We show that FAVOR# outperforms other random feature methods in speech modelling and natural language processing.

We develop a deep learning methodology for the simultaneous discovery of multiple nontrivial continuous symmetries across an entire labelled dataset. The symmetry transformations and the corresponding generators are modeled with fully connected neural networks trained with a specially constructed loss function ensuring the desired symmetry properties. The two new elements in this work are the use of a reduced-dimensionality latent space and the generalization to transformations invariant with respect to high-dimensional oracles. The method is demonstrated with several examples on the MNIST digit dataset.

Concept Bottleneck Models (CBMs) map the inputs onto a set of interpretable concepts (``the bottleneck'') and use the concepts to make predictions. A concept bottleneck enhances interpretability since it can be investigated to understand what concepts the model "sees" in an input and which of these concepts are deemed important. However, CBMs are restrictive in practice as they require dense concept annotations in the training data to learn the bottleneck. Moreover, CBMs often do not match the accuracy of an unrestricted neural network, reducing the incentive to deploy them in practice. In this work, we address these limitations of CBMs by introducing Post-hoc Concept Bottleneck models (PCBMs). We show that we can turn any neural network into a PCBM without sacrificing model performance while still retaining the interpretability benefits. When concept annotations are not available on the training data, we show that PCBM can transfer concepts from other datasets or from natural language descriptions of concepts via multimodal models. A key benefit of PCBM is that it enables users to quickly debug and update the model to reduce spurious correlations and improve generalization to new distributions. PCBM allows for global model edits, which can be more efficient than previous works on local interventions that fix a specific prediction. Through a model-editing user study, we show that editing PCBMs via concept-level feedback can provide significant performance gains without using data from the target domain or model retraining.  ( 2 min )

Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where the equations of motion are integrated with timesteps on the order of femtoseconds ($1\textrm{fs}=10^{-15}\textrm{s}$). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD. Furthermore, new MD simulations need to be performed from scratch for each molecular system studied. We present Timewarp, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of $10^{5} - 10^{6}\:\textrm{fs}$. Crucially, Timewarp is transferable between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids), exploring their metastable states and providing wall-clock acceleration when sampling compared to standard MD. Our method constitutes an important step towards developing general, transferable algorithms for accelerating MD.  ( 2 min )

Overparametrization often helps improve the generalization performance. This paper proposes a dual view of overparametrization suggesting that downsampling may also help generalize. Motivated by this dual view, we characterize two out-of-sample prediction risks of the sketched ridgeless least square estimator in the proportional regime $m\asymp n \asymp p$, where $m$ is the sketching size, $n$ the sample size, and $p$ the feature dimensionality. Our results reveal the statistical role of downsampling. Specifically, downsampling does not always hurt the generalization performance, and may actually help improve it in some cases. We identify the optimal sketching sizes that minimize the out-of-sample prediction risks, and find that the optimally sketched estimator has stabler risk curves that eliminates the peaks of those for the full-sample estimator. We then propose a practical procedure to empirically identify the optimal sketching size. Finally, we extend our results to cover central limit theorems and misspecified models. Numerical studies strongly support our theory.  ( 2 min )

The conventional understanding of adversarial training in generative adversarial networks (GANs) is that the discriminator is trained to estimate a divergence, and the generator learns to minimize this divergence. We argue that despite the fact that many variants of GANs were developed following this paradigm, the current theoretical understanding of GANs and their practical algorithms are inconsistent. In this paper, we leverage Wasserstein gradient flows which characterize the evolution of particles in the sample space, to gain theoretical insights and algorithmic inspiration of GANs. We introduce a unified generative modeling framework - MonoFlow: the particle evolution is rescaled via a monotonically increasing mapping of the log density ratio. Under our framework, adversarial training can be viewed as a procedure first obtaining MonoFlow's vector field via training the discriminator and the generator learns to draw the particle flow defined by the corresponding vector field. We also reveal the fundamental difference between variational divergence minimization and adversarial training. This analysis helps us to identify what types of generator loss functions can lead to the successful training of GANs and suggest that GANs may have more loss designs beyond the literature (e.g., non-saturated loss), as long as they realize MonoFlow. Consistent empirical studies are included to validate the effectiveness of our framework.  ( 2 min )

Sparse linear models are a gold standard tool for interpretable machine learning, a field of emerging importance as predictive models permeate decision-making in many domains. Unfortunately, sparse linear models are far less flexible as functions of their input features than black-box models like deep neural networks. With this capability gap in mind, we study a not-uncommon situation where the input features dichotomize into two groups: explanatory features, which we wish to explain the model's predictions, and contextual features, which we wish to determine the model's explanations. This dichotomy leads us to propose the contextual lasso, a new statistical estimator that fits a sparse linear model whose sparsity pattern and coefficients can vary with the contextual features. The fitting process involves learning a nonparametric map, realized via a deep neural network, from contextual feature vector to sparse coefficient vector. To attain sparse coefficients, we train the network with a novel lasso regularizer in the form of a projection layer that maps the network's output onto the space of $\ell_1$-constrained linear models. Extensive experiments on real and synthetic data suggest that the learned models, which remain highly transparent, can be sparser than the regular lasso without sacrificing the predictive power of a standard deep neural network.  ( 2 min )

We propose a new class of models for variable clustering called Asymptotic Independent block (AI-block) models, which defines population-level clusters based on the independence of the maxima of a multivariate stationary mixing random process among clusters. This class of models is identifiable, meaning that there exists a maximal element with a partial order between partitions, allowing for statistical inference. We also present an algorithm for recovering the clusters of variables without specifying the number of clusters \emph{a priori}. Our work provides some theoritical insights into the consistency of our algorithm, demonstrating that under certain conditions it can effectively identify clusters in the data with a computational complexity that is polynomial in the dimension. This implies that groups can be learned nonparametrically in which block maxima of a dependent process are only sub-asymptotic.  ( 2 min )

Intelligence relies on an agent's knowledge of what it does not know. This capability can be assessed based on the quality of joint predictions of labels across multiple inputs. In principle, ensemble-based approaches produce effective joint predictions, but the computational costs of training large ensembles can become prohibitive. We introduce the epinet: an architecture that can supplement any conventional neural network, including large pretrained models, and can be trained with modest incremental computation to estimate uncertainty. With an epinet, conventional neural networks outperform very large ensembles, consisting of hundreds or more particles, with orders of magnitude less computation. The epinet does not fit the traditional framework of Bayesian neural networks. To accommodate development of approaches beyond BNNs, such as the epinet, we introduce the epistemic neural network (ENN) as an interface for models that produce joint predictions.  ( 2 min )

Performance of machine learning models may differ between training and deployment for many reasons. For instance, model performance can change between environments due to changes in data quality, observing a different population than the one in training, or changes in the relationship between labels and features. These changes result in distribution shifts across environments. Attributing model performance changes to specific shifts is critical for identifying sources of model failures, and for taking mitigating actions that ensure robust models. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.  ( 2 min )

It is common in modern prediction problems for many predictor variables to be counts of rarely occurring events. This leads to design matrices in which many columns are highly sparse. The challenge posed by such "rare features" has received little attention despite its prevalence in diverse areas, ranging from natural language processing (e.g., rare words) to biology (e.g., rare species). We show, both theoretically and empirically, that not explicitly accounting for the rareness of features can greatly reduce the effectiveness of an analysis. We next propose a framework for aggregating rare features into denser features in a flexible manner that creates better predictors of the response. Our strategy leverages side information in the form of a tree that encodes feature similarity. We apply our method to data from TripAdvisor, in which we predict the numerical rating of a hotel based on the text of the associated review. Our method achieves high accuracy by making effective use of rare words; by contrast, the lasso is unable to identify highly predictive words if they are too rare. A companion R package, called rare, implements our new estimator, using the alternating direction method of multipliers.  ( 2 min )

Recent results on optimization and generalization properties of neural networks showed that in a simple two-layer network, the alignment of the labels to the eigenvectors of the corresponding Gram matrix determines the convergence of the optimization during training. Such analyses also provide upper bounds on the generalization error. We experimentally investigate the implications of these results to deeper networks via embeddings. We regard the layers preceding the final hidden layer as producing different representations of the input data which are then fed to the two-layer model. We show that these representations improve both optimization and generalization. In particular, we investigate three kernel representations when fed to the final hidden layer: the Gaussian kernel and its approximation by random Fourier features, kernels designed to imitate representations produced by neural networks and finally an optimal kernel designed to align the data with target labels. The approximated representations induced by these kernels are fed to the neural network and the optimization and generalization properties of the final model are evaluated and compared.  ( 2 min )

This paper presents new machine learning approaches to approximate the solutions of optimal stopping problems. The key idea of these methods is to use neural networks, where the parameters of the hidden layers are generated randomly and only the last layer is trained, in order to approximate the continuation value. Our approaches are applicable to high dimensional problems where the existing approaches become increasingly impractical. In addition, since our approaches can be optimized using simple linear regression, they are easy to implement and theoretical guarantees are provided. Our randomized reinforcement learning approach and randomized recurrent neural network approach outperform the state-of-the-art and other relevant machine learning approaches in Markovian and non-Markovian examples, respectively. In particular, we test our approaches on Black-Scholes, Heston, rough Heston and fractional Brownian motion. Moreover, we show that they can also be used to efficiently compute Greeks of American options.  ( 2 min )

We provide a theoretical justification for sample recovery using diffusion based image inpainting in a linear model setting. While most inpainting algorithms require retraining with each new mask, we prove that diffusion based inpainting generalizes well to unseen masks without retraining. We analyze a recently proposed popular diffusion based inpainting algorithm called RePaint (Lugmayr et al., 2022), and show that it has a bias due to misalignment that hampers sample recovery even in a two-state diffusion process. Motivated by our analysis, we propose a modified RePaint algorithm we call RePaint$^+$ that provably recovers the underlying true sample and enjoys a linear rate of convergence. It achieves this by rectifying the misalignment error present in drift and dispersion of the reverse process. To the best of our knowledge, this is the first linear convergence result for a diffusion based image inpainting algorithm.  ( 2 min )

Multi-objective Bayesian optimization aims to find the Pareto front of optimal trade-offs between a set of expensive objectives while collecting as few samples as possible. In some cases, it is possible to evaluate the objectives separately, and a different latency or evaluation cost can be associated with each objective. This presents an opportunity to learn the Pareto front faster by evaluating the cheaper objectives more frequently. We propose a scalarization based knowledge gradient acquisition function which accounts for the different evaluation costs of the objectives. We prove consistency of the algorithm and show empirically that it significantly outperforms a benchmark algorithm which always evaluates both objectives.  ( 2 min )

Causal inference has numerous real-world applications in many domains, such as health care, marketing, political science, and online advertising. Treatment effect estimation, a fundamental problem in causal inference, has been extensively studied in statistics for decades. However, traditional treatment effect estimation methods may not well handle large-scale and high-dimensional heterogeneous data. In recent years, an emerging research direction has attracted increasing attention in the broad artificial intelligence field, which combines the advantages of traditional treatment effect estimation approaches (e.g., propensity score, matching, and reweighing) and advanced machine learning approaches (e.g., representation learning, adversarial learning, and graph neural networks). Although the advanced machine learning approaches have shown extraordinary performance in treatment effect estimation, it also comes with a lot of new topics and new research questions. In view of the latest research efforts in the causal inference field, we provide a comprehensive discussion of challenges and opportunities for the three core components of the treatment effect estimation task, i.e., treatment, covariates, and outcome. In addition, we showcase the promising research directions of this topic from multiple perspectives.  ( 2 min )

We consider the optimisation of large and shallow neural networks via gradient flow, where the output of each hidden node is scaled by some positive parameter. We focus on the case where the node scalings are non-identical, differing from the classical Neural Tangent Kernel (NTK) parameterisation. We prove that, for large neural networks, with high probability, gradient flow converges to a global minimum AND can learn features, unlike in the NTK regime. We also provide experiments on synthetic and real-world datasets illustrating our theoretical results and showing the benefit of such scaling in terms of pruning and transfer learning.  ( 2 min )

We study the problem of robust distribution estimation under the Wasserstein metric, a popular discrepancy measure between probability distributions rooted in optimal transport (OT) theory. We introduce a new outlier-robust Wasserstein distance $\mathsf{W}_p^\varepsilon$ which allows for $\varepsilon$ outlier mass to be removed from its input distributions, and show that minimum distance estimation under $\mathsf{W}_p^\varepsilon$ achieves minimax optimal robust estimation risk. Our analysis is rooted in several new results for partial OT, including an approximate triangle inequality, which may be of independent interest. To address computational tractability, we derive a dual formulation for $\mathsf{W}_p^\varepsilon$ that adds a simple penalty term to the classic Kantorovich dual objective. As such, $\mathsf{W}_p^\varepsilon$ can be implemented via an elementary modification to standard, duality-based OT solvers. Our results are extended to sliced OT, where distributions are projected onto low-dimensional subspaces, and applications to homogeneity and independence testing are explored. We illustrate the virtues of our framework via applications to generative modeling with contaminated datasets.  ( 2 min )

In this paper, we propose a novel data-driven operator learning framework referred to as the \textit{Randomized Prior Wavelet Neural Operator} (RP-WNO). The proposed RP-WNO is an extension of the recently proposed wavelet neural operator, which boasts excellent generalizing capabilities but cannot estimate the uncertainty associated with its predictions. RP-WNO, unlike the vanilla WNO, comes with inherent uncertainty quantification module and hence, is expected to be extremely useful for scientists and engineers alike. RP-WNO utilizes randomized prior networks, which can account for prior information and is easier to implement for large, complex deep-learning architectures than its Bayesian counterpart. Four examples have been solved to test the proposed framework, and the results produced advocate favorably for the efficacy of the proposed framework.  ( 2 min )

The goal of causal representation learning is to find a representation of data that consists of causally related latent variables. We consider a setup where one has access to data from multiple domains that potentially share a causal representation. Crucially, observations in different domains are assumed to be unpaired, that is, we only observe the marginal distribution in each domain but not their joint distribution. In this paper, we give sufficient conditions for identifiability of the joint distribution and the shared causal graph in a linear setup. Identifiability holds if we can uniquely recover the joint distribution and the shared causal representation from the marginal distributions in each domain. We transform our identifiability results into a practical method to recover the shared latent causal graph. Moreover, we study how multiple domains reduce errors in falsely detecting shared causal variables in the finite data setting.  ( 2 min )

We propose $\textsf{ScaledGD($\lambda$)}$, a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, $\textsf{ScaledGD($\lambda$)}$ starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, $\textsf{ScaledGD($\lambda$)}$ is remarkably robust to ill-conditioning compared to vanilla gradient descent ($\textsf{GD}$) even with overprameterization. Specifically, we show that, under the Gaussian design, $\textsf{ScaledGD($\lambda$)}$ converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla $\textsf{GD}$ which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.  ( 2 min )

This paper presents a novel mechanism design for multi-item auction settings with uncertain bidders' type distributions. Our proposed approach utilizes nonparametric density estimation to accurately estimate bidders' types from historical bids, and is built upon the Vickrey-Clarke-Groves (VCG) mechanism, ensuring satisfaction of Bayesian incentive compatibility (BIC) and $\delta$-individual rationality (IR). To further enhance the efficiency of our mechanism, we introduce two novel strategies for query reduction: a filtering method that screens potential winners' value regions within the confidence intervals generated by our estimated distribution, and a classification strategy that designates the lower bound of an interval as the estimated type when the length is below a threshold value. Simulation experiments conducted on both small-scale and large-scale data demonstrate that our mechanism consistently outperforms existing methods in terms of revenue maximization and query reduction, particularly in large-scale scenarios. This makes our proposed mechanism a highly desirable and effective option for sellers in the realm of multi-item auctions.  ( 2 min )

This paper studies the fundamental limits of reinforcement learning (RL) in the challenging \emph{partially observable} setting. While it is well-established that learning in Partially Observable Markov Decision Processes (POMDPs) requires exponentially many samples in the worst case, a surge of recent work shows that polynomial sample complexities are achievable under the \emph{revealing condition} -- A natural condition that requires the observables to reveal some information about the unobserved latent states. However, the fundamental limits for learning in revealing POMDPs are much less understood, with existing lower bounds being rather preliminary and having substantial gaps from the current best upper bounds. We establish strong PAC and regret lower bounds for learning in revealing POMDPs. Our lower bounds scale polynomially in all relevant problem parameters in a multiplicative fashion, and achieve significantly smaller gaps against the current best upper bounds, providing a solid starting point for future studies. In particular, for \emph{multi-step} revealing POMDPs, we show that (1) the latent state-space dependence is at least $\Omega(S^{1.5})$ in the PAC sample complexity, which is notably harder than the $\widetilde{\Theta}(S)$ scaling for fully-observable MDPs; (2) Any polynomial sublinear regret is at least $\Omega(T^{2/3})$, suggesting its fundamental difference from the \emph{single-step} case where $\widetilde{O}(\sqrt{T})$ regret is achievable. Technically, our hard instance construction adapts techniques in \emph{distribution testing}, which is new to the RL literature and may be of independent interest.  ( 2 min )

We introduce a new stochastic algorithm for solving entropic optimal transport (EOT) between two absolutely continuous probability measures $\mu$ and $\nu$. Our work is motivated by the specific setting of Monge-Kantorovich quantiles where the source measure $\mu$ is either the uniform distribution on the unit hypercube or the spherical uniform distribution. Using the knowledge of the source measure, we propose to parametrize a Kantorovich dual potential by its Fourier coefficients. In this way, each iteration of our stochastic algorithm reduces to two Fourier transforms that enables us to make use of the Fast Fourier Transform (FFT) in order to implement a fast numerical method to solve EOT. We study the almost sure convergence of our stochastic algorithm that takes its values in an infinite-dimensional Banach space. Then, using numerical experiments, we illustrate the performances of our approach on the computation of regularized Monge-Kantorovich quantiles. In particular, we investigate the potential benefits of entropic regularization for the smooth estimation of multivariate quantiles using data sampled from the target measure $\nu$.  ( 2 min )

Slope failures possess destructive power that can cause significant damage to both life and infrastructure. Monitoring slopes prone to instabilities is therefore critical in mitigating the risk posed by their failure. The purpose of slope monitoring is to detect precursory signs of stability issues, such as changes in the rate of displacement with which a slope is deforming. This information can then be used to predict the timing or probability of an imminent failure in order to provide an early warning. In this study, a more objective, statistical-learning algorithm is proposed to detect and characterise the risk of a slope failure, based on spectral analysis of serially correlated displacement time series data. The algorithm is applied to satellite-based interferometric synthetic radar (InSAR) displacement time series data to retrospectively analyse the risk of the 2019 Brumadinho tailings dam collapse in Brazil. Two potential risk milestones are identified and signs of a definitive but emergent risk (27 February 2018 to 26 August 2018) and imminent risk of collapse of the tailings dam (27 June 2018 to 24 December 2018) are detected by the algorithm. Importantly, this precursory indication of risk of failure is detected as early as at least five months prior to the dam collapse on 25 January 2019. The results of this study demonstrate that the combination of spectral methods and second order statistical properties of InSAR displacement time series data can reveal signs of a transition into an unstable deformation regime, and that this algorithm can provide sufficient early warning that could help mitigate catastrophic slope failures.  ( 2 min )

In recent years, deep learning methods have achieved great success in various fields due to their strong performance in practical applications. In this paper, we present a light-weight neural network for Parkinson's disease diagnostics, in which a series of hand-drawn data are collected to distinguish Parkinson's disease patients from healthy control subjects. The proposed model consists of a convolution neural network (CNN) cascading to long-short-term memory (LSTM) to adapt the characteristics of collected time-series signals. To make full use of their advantages, a multilayered LSTM model is firstly used to enrich features which are then concatenated with raw data and fed into a shallow one-dimensional (1D) CNN model for efficient classification. Experimental results show that the proposed model achieves a high-quality diagnostic result over multiple evaluation metrics with much fewer parameters and operations, outperforming conventional methods such as support vector machine (SVM), random forest (RF), lightgbm (LGB) and CNN-based methods.  ( 2 min )

Monte Carlo simulations of physics processes at particle colliders like the Large Hadron Collider at CERN take up a major fraction of the computational budget. For some simulations, a single data point takes seconds, minutes, or even hours to compute from first principles. Since the necessary number of data points per simulation is on the order of $10^9$ - $10^{12}$, machine learning regressors can be used in place of physics simulators to significantly reduce this computational burden. However, this task requires high-precision regressors that can deliver data with relative errors of less than $1\%$ or even $0.1\%$ over the entire domain of the function. In this paper, we develop optimal training strategies and tune various machine learning regressors to satisfy the high-precision requirement. We leverage symmetry arguments from particle physics to optimize the performance of the regressors. Inspired by ResNets, we design a Deep Neural Network with skip connections that outperform fully connected Deep Neural Networks. We find that at lower dimensions, boosted decision trees far outperform neural networks while at higher dimensions neural networks perform significantly better. We show that these regressors can speed up simulations by a factor of $10^3$ - $10^6$ over the first-principles computations currently used in Monte Carlo simulations. Additionally, using symmetry arguments derived from particle physics, we reduce the number of regressors necessary for each simulation by an order of magnitude. Our work can significantly reduce the training and storage burden of Monte Carlo simulations at current and future collider experiments.  ( 2 min )

Missing data is common in datasets retrieved in various areas, such as medicine, sports, and finance. In many cases, to enable proper and reliable analyses of such data, the missing values are often imputed, and it is necessary that the method used has a low root mean square error (RMSE) between the imputed and the true values. In addition, for some critical applications, it is also often a requirement that the logic behind the imputation is explainable, which is especially difficult for complex methods that are for example, based on deep learning. This motivates us to introduce a conditional Distribution based Imputation of Missing Values (DIMV) algorithm. This approach works based on finding the conditional distribution of a feature with missing entries based on the fully observed features. As will be illustrated in the paper, DIMV (i) gives a low RMSE for the imputed values compared to state-of-the-art methods under comparison; (ii) is explainable; (iii) can provide an approximated confidence region for the missing values in a given sample; (iv) works for both small and large scale data; (v) in many scenarios, does not require a huge number of parameters as deep learning approaches and therefore can be used for mobile devices or web browsers; and (vi) is robust to the normally distributed assumption that its theoretical grounds rely on. In addition to DIMV, we also introduce the DPER* algorithm improving the speed of DPER for estimating the mean and covariance matrix from the data, and we confirm the speed-up via experiments.  ( 2 min )

Classical results establish that ensembles of small models benefit when predictive diversity is encouraged, through bagging, boosting, and similar. Here we demonstrate that this intuition does not carry over to ensembles of deep neural networks used for classification, and in fact the opposite can be true. Unlike regression models or small (unconfident) classifiers, predictions from large (confident) neural networks concentrate in vertices of the probability simplex. Thus, decorrelating these points necessarily moves the ensemble prediction away from vertices, harming confidence and moving points across decision boundaries. Through large scale experiments, we demonstrate that diversity-encouraging regularizers hurt the performance of high-capacity deep ensembles used for classification. Even more surprisingly, discouraging predictive diversity can be beneficial. Together this work strongly suggests that the best strategy for deep ensembles is utilizing more accurate, but likely less diverse, component models.  ( 2 min )

Energy-based models have the natural advantage of flexibility in the form of the energy function. Recently, energy-based models have achieved great success in modeling high-dimensional data in computer vision and natural language processing. In accordance with these signs of progress, we build a versatile energy-based model for High Energy Physics events at the Large Hadron Collider. This framework builds on a powerful generative model and describes higher-order inter-particle interactions. It suits different encoding architectures and builds on implicit generation. As for applicational aspects, it can serve as a powerful parameterized event generator, a generic anomalous signal detector, and an augmented event classifier.  ( 2 min )

This might be a bit of a dumb question; so I understand the concept of the discount factor with calculating the sum of expected rewards: the closer gamma is to 1.0, the more emphasis the agent places on future rewards as opposed to its current reward. Generally though this seems to happen with when a return is calculated for an entire episode. In Q-learning different state action pairs are getting updates to their q-values at each step, so there's no sort of monte-carlo return that's being calculated back through an entire episode. Therefore is the purpose of gamma here just to make sure the Q-values converge in an infinite horizon case? submitted by /u/1cedrake [link] [comments]  ( 42 min )

Hello, I'm fairly new to RL and I'm trying to understand the concepts. I saw the spinningup's classification of RL algorithms and noticed that PPO is classified as a Policy based method. However, I read that PPO has both actor and critic networks and [I] considered it to be a hybrid method. I was wondering that if PPO trains both policy and value networks, why is it considered to be a value-based method? what is the difference between SAC and PPO that SAC is hybrid and PPO is not? Thanks in advance ​ https://preview.redd.it/r05j39rx69ga1.png?width=987&format=png&auto=webp&s=e230bf62944d9d2572e5fe6fbe204ef5eba250b0 submitted by /u/ahmadreza_hadi [link] [comments]  ( 42 min )

I've been reading this paper (Financial Trading as a Game: A Deep Reinforcement Learning Approach) and have been wondering about something they try in there. I'm still quite new to Q Learning so maybe I've yet to fully understand things... However, they propose a scheme where at each time step they can calculate the reward for the step that was taken and also the rewards for the other possible actions at that step. Intuitively it makes a lot of sense to me - we can learn more from each step without having to do more random exploration. But I immediately thought that there are probably quite a few areas of RL where we could benefit from the same thing (outside of financial trading). So my question is, given how intuitively smart this approach seems, why isn't it more broadly adopted already? What did I miss? submitted by /u/jarym [link] [comments]  ( 43 min )

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I am looking at this PPO implementation, which follows the pseudocode given in Spinning Up. This implementation has been really easy to follow and I understand almost everything. However, I am lost in line 103, where the author computes the normalized advantage before the rollout - A_k = (A_k - A_k.mean()) / (A_k.std() + 1e-10) Moreover, within the rollout loop, the author goes ahead to recalculate the value, but uses the original advantage while computing the surrogate losses - for _ in range(self.n_updates_per_iteration): # ALG STEP 6 & 7 # Calculate V_phi and pi_theta(a_t | s_t) V, curr_log_probs = self.evaluate(batch_obs, batch_acts) # Calculate surrogate losses. surr1 = ratios * A_k surr2 = torch.clamp(ratios, 1 - self.clip, 1 + self.clip) * A_k The author also wrote a medium article about this implementation and wrote the following - ​ https://preview.redd.it/195482c373ga1.png?width=845&format=png&auto=webp&s=0624c10056311ce9d31b98fd4563a8f7acff39f8 ​ But in the rollouts, the author updates V(value) without updating A (the advantage). submitted by /u/Academic-Rent7800 [link] [comments]  ( 44 min )

Is this a thing? To combine game tree search like minimax (or alpha-beta pruning) with neural networks that model the value function of a state? I think Alpha Go did something similar but with Monre Carlo Search Trees and it also had a policy network. How would I go on about training said neural network? I am thinking, first as a supervised task where the target values are heuristic evaluation functions and then finw tuning with some kind of RL but I don't know what. submitted by /u/SupremeChampionOfDi [link] [comments]  ( 44 min )

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I saw recently a lot of roadblocks that we thought AI will struggle with (Like making art) have easier crossed even with the narrow AI (ML) we have. I feel a lot of limits we thought ai might have like thinking outside the box, understanding concepts, self-awareness, or lacking a 'soul' are all kinda subjective that can be overcome with the invention of AGI and ASI in the coming decades. Then they will grow behind human comprehension. So are there actual hard limitations (if any) Ais will encounter that are actually very hard or maybe never able to overcome? submitted by /u/uswhole [link] [comments]  ( 41 min )

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GhatGPT is an amazing tool no doubt even in the prototype version and they are continuously improving at an incredible rate. But the thing is, all these three giants (Apple, Amazon and Google) have their incredible voice assistances. They do similar job of finding a different requested results on web etc. Apple is already adding new health support features. Google maps might make it more helpful for searches related to geographical regions. And again they probably have more user data from millions of users. What make it so different from them and how difficult it would be for them to create their own version as they have a lot more resources and data. submitted by /u/JaurasiD [link] [comments]  ( 41 min )

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I'm working on an AI project and looking for an open-source text2music or text2audio model that I can incorporate into a website to experiment with. I'm aware of models like MusicLM and VALL-E but those haven't been released as APIs yet. I've also come across AudioGen and Mousai but same issues there. Does anyone happen to have a suggestion for a text2music model that is OSS and fairly accessible to incorporate into a web app? Looking for the best OSS model out there, but also open to the best text2audio that anyone would recommend - just looking to get text2audio working. Any suggestions from prior experience would be hugely helpful. Thanks very much in advance! submitted by /u/dmalikmusic [link] [comments]  ( 41 min )

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https://www.udemy.com/course/chatgpt-bot/?couponCode=5-DAYS-FREE Hey everyone, I recently made a course about ChatGPT as a fun passion project. This is for anyone who wants to learn how to create automated workflows (using Chrome extensions) with ChatGPT. Specifically, you will create a ChatGPT bot that automatically answers your emails. It is beginner friendly and includes getting some good practice with JavaScript. I hope you enjoy it and I'm looking forward to your feedback/questions :) submitted by /u/neuromodel [link] [comments]  ( 41 min )

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https://www.youtube.com/watch?v=8TOgN-U0ask&t=1s After the Lensa AI controversy led many people to question whether AI really is creative or is it just "remixing" other artists' copyrighted work used with permission, it has led many to wonder whether AI trained on copyrighted images should be illegal. This talk makes some interesting comparisons which might just mean the answer is no. submitted by /u/BearNo21 [link] [comments]  ( 41 min )

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I'm creating https://domore.ai/ - a catalog of 1000+ AI tools. The goal is to provide individuals and organizations with the latest information on AI tools. I'd love to hear any feedback you have for me, so feel free to share your thoughts :) submitted by /u/bart_so [link] [comments]  ( 41 min )

I've been trying rasa for some time and got into a problem, the ai detects the intents perfectly but it doesn't pick up the entities. anyone can help me with it? submitted by /u/skychi_ [link] [comments]  ( 40 min )

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Hello everyone, I am trying to implement DenseNet from scratch with some improvement for my project. When I fit my model, I am seeing that my validation accuracy fluctuating but my test accuracy is almost 96%. Is this fluctuation sign of the overfitting or how can I comment about this? I would be appreciate for any help. Thank you in advance. ​ ​ https://preview.redd.it/jtybvrt3z8ga1.png?width=778&format=png&auto=webp&s=75ec1a2ab9e2b60854bc92f361e203d825e9ca62 submitted by /u/Hungry-Engineer-5696 [link] [comments]  ( 41 min )

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Say I wanted to do a KNN similarity search, using a text embedding from a block of text from a PDF. But I also want to find these documents written at a similar time, and with similar title and author. Would it make sense to prepend a written form of this metadata ahead of the document text, and sending that to the embedding? Like “this document titled ABC was written by XYZ on January 1, 2020”. Or would it be better to create a separate embedding for the metadata, and merge the embeddings afterwards? submitted by /u/DeadPukka [link] [comments]  ( 43 min )

Looking for ideas to start an NLP project, I'd like to explore something not too mainstream or novel to some extent, any ideas or datasets I should check out? submitted by /u/mems_m [link] [comments]  ( 42 min )

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I have performed below steps and require guidance to proceed further I have extracted and preprocessed the text from PDFs. Performed NER on the extracted text and created a data frame of entities. Created a function to preprocess the query and identified the entities in the question. Now I need guidance or any reference to perform the below steps. Match the entities from the question with the entities in the PDF text and retrieve the paragraph ? Calculate the similarity score for each paragraph and display the relevant paragraph Generate answer from the identified paragraph ? Please also guide me if the approach followed is correct or not ? submitted by /u/sasi_0212 [link] [comments]  ( 43 min )

It seems like Singular Value Decomposition is only used for unsupervised learning when trying to reduce the number of features in a high dimensional dataset, but I was wondering why I don't see any articles or literature on using SVD for supervised learning. I know that using a regularization function like Lasso (L1) can get rid of irrelevant features, but I don't see why SVD wouldn't be helpful too. submitted by /u/TemperatureOk6810 [link] [comments]  ( 43 min )

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I have been working on information extraction from documents, but what I got to know is there are not enough free tools available for labelling data for these kind of tasks. Are there any free tools available for labelling data for LayoutLM models? submitted by /u/TensorDudee [link] [comments]  ( 42 min )

Hi, I've done some programming type things before and I'm interested in learning about ML, to be able to make some basic projects with ML, how good does my math need to be. I get As at school in math but I know that what I'm learning now is pretty basic. I'm just wondering whether I should try learn about ML or wait a few more years for my math skills to improve submitted by /u/Daniel_C_____ [link] [comments]  ( 45 min )

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Hi everyone, I'm currently knees-deep in a ML project with a friend (~4 months of development) and my free compute units on Colab finally ran out. After searching for alternatives, and finding none that work as smoothly as Colab, we've considered to buy a Pro subscription. My question is: How can I share the compute units I'll get from Colab Pro with said friend? Don't want to make the purchase and later realize that I'm the only person with access to those compute units. submitted by /u/RaphDaPingu [link] [comments]  ( 43 min )

Maybe not a Machine Learning question, but I'm searching for good books about information retrieval. The two primary ones I can find are: - Introduction to Information Retrieval (2008) - Information Retrieval - Implementing and Evaluating Search Engines (2016) ​ They seem a bit old for 2023, but they may still be useful? Do you have any good book recommendations? submitted by /u/Ggronne [link] [comments]  ( 44 min )

Hi guys! I read a lot of offline RL papers in last Fall semester and choose it as my course project. Offline RL seems to be a very hot topic in recent years, I believe that the major challenge for offline RL are (i) distribution shift and (ii) overestimation. The second challenge is caused by (i), because the learners/agents will never allow to interact with the true environment and they will too optimistic for unseen state-actions. Hence, there are many papers to address such challenges, e.g., CQL and MOPO. However can these methods handle misleading datasets? Consider the following example. Suppose we have only one state (MAB) and two arms. The reward of the first arm will return 2/3 with probability 1 and the reward model of second arm is Bernoulli distribution with p=1/2. Clearly, choosing the first arm is the best choice. Now, for the dataset, unfortunately, all samples on the second arm received reward 1. Because the agent only can access this misleading dataset, if we use Bayesian methods, then the posterior will give a high score for the second arm. If we use Lower Confidence Bound, we need to count the occurrence of each arm. Then, this is very hard to extend this method to MDPs with arbitrary large state and action space. So, does anyone know a function can capture this uncertainty (caused by the dataset) or can any methods to tell the learner that you’re in a very misleading situation? submitted by /u/AndyMeowMeow [link] [comments]  ( 44 min )

From the Financial Times: https://www.ft.com/content/583ead66-467c-4bd5-84d0-ed5df7b5bf9c Unpaywalled: https://archive.is/ciZPV I guess I'm a little surprised, this feels like Google backing a competitor to 1) their own Google Brain teams, and 2) Deepmind. The cynical take might be that they're trying to lock in Anthropic; the same way Microsoft locked in OpenAI. submitted by /u/bikeskata [link] [comments]  ( 47 min )

I’ve been developing this idea since I first thought of it in mid December last year. Here’s the elevator pitch (skip to how for technical details): Why? Existing models and learning algorithms are extremely static and unable to generalize across tasks as well as humans or to adapt well to new / changing business requirements. This even applies to the final solutions in recent AutoML (see An Empirical Review of Automated Machine Learning, AutoML: A survey of the state-of-the-art). Beyond being static, most suffer from a need for high-performance systems with large amounts of compute and/or memory. This static and bloated nature not only limits the reusability of code, pipelines and all the computations that went into previous versions of a model architecture upon finding a better one. It…  ( 47 min )

Paper: https://arxiv.org/abs/2302.00923 Github: https://github.com/amazon-science/mm-cot Twitter: https://paperswithcode.com/top-social Abstract: Large language models (LLMs) have shown impressive performance on complex reasoning by leveraging chain-of-thought (CoT) prompting to generate intermediate reasoning chains as the rationale to infer the answer. However, existing CoT studies are mostly isolated in the language modality with LLMs, where LLMs are hard to deploy. To elicit CoT reasoning in multimodality, a possible solution is to fine-tune small language models by fusing the vision and language features to perform CoT reasoning. The key challenge is that those language models tend to generate hallucinated reasoning chains that mislead the answer inference. To mitigate the effect of such mistakes, we propose Multimodal-CoT that incorporates vision features in a decoupled training framework. The framework separates the rationale generation and answer inference into two stages. By incorporating the vision features in both stages, the model is able to generate effective rationales that contribute to answer inference. With Multimodal-CoT, our model under 1 billion parameters outperforms the previous state-of-the-art LLM (GPT-3.5) by 16% (75.17%->91.68%) on the ScienceQA benchmark and even surpasses human performance. https://preview.redd.it/g9eo0f94k1ga1.jpg?width=1331&format=pjpg&auto=webp&s=9b5fc84b424aff7160b69ff7c7a5fad071cbb7d2 https://preview.redd.it/fgboci94k1ga1.jpg?width=1323&format=pjpg&auto=webp&s=35215544d9e0a74881c42503d04b62ab09081af1 https://preview.redd.it/2ojfym94k1ga1.jpg?width=1660&format=pjpg&auto=webp&s=cf040c4f422f6c323e8c4d75474a5881f45a41d1 https://preview.redd.it/k7huem94k1ga1.jpg?width=1326&format=pjpg&auto=webp&s=f4326a5088744d3856e5c5c23311be6348fab924 https://preview.redd.it/05m8rf94k1ga1.jpg?width=658&format=pjpg&auto=webp&s=ac4110e57a49fcea6f8c03571edd391ff71bd13d submitted by /u/Singularian2501 [link] [comments]  ( 47 min )

Hey ML Reddit! I just shipped a project I’ve been working on called Maroofy: https://maroofy.com You can search for any song, and it’ll use the song’s audio to find other similar-sounding music. Demo: https://twitter.com/subby_tech/status/1621293770779287554 How does it work? I’ve indexed ~120M+ songs from the iTunes catalog with a custom AI audio model that I built for understanding music. My model analyzes raw music audio as input and produces embedding vectors as output. I then store the embedding vectors for all songs into a vector database, and use semantic search to find similar music! Here are some examples you can try: Fetish (Selena Gomez feat. Gucci Mane) — https://maroofy.com/songs/1563859943 The Medallion Calls (Pirates of the Caribbean) — https://maroofy.com/songs/1440649752 Hope you like it! This is an early work in progress, so would love to hear any questions/feedback/comments! :D submitted by /u/BullyMaguireJr [link] [comments]  ( 52 min )

Github: https://github.com/google/vizier Google AI Blog: https://ai.googleblog.com/2023/02/open-source-vizier-towards-reliable-and.html Tweet from Zoubin Ghahramani: https://twitter.com/ZoubinGhahrama1/status/1621321675936768000?s=20&t=ZEuz9oSc_GWYxixtXDskqA submitted by /u/enderlayer [link] [comments]  ( 43 min )

Hello everyone, I'm interested in diving into the field of computer vision and I recently came across the concept of Vision Transformer (ViT). I want to understand this concept in depth but I'm not sure what prerequisites I need to have in order to grasp the concept fully. Do I need to have a strong background in Recurrent Neural Networks (RNNs) and Transformer (Attention Is All You Need) to understand ViT, or can I get by just knowing the basics of deep learning and Convolutional Neural Networks (CNNs)? I would really appreciate if someone could shed some light on this and provide some guidance. Thank you in advance! submitted by /u/SAbdusSamad [link] [comments]  ( 7 min )

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In this article (https://dallasinnovates.com/exclusive-qa-john-carmacks-different-path-to-artificial-general-intelligence/) there is a quote from John Carmack that read: "I asked Ilya Sutskever, OpenAI’s chief scientist, for a reading list. He gave me a list of like 40 research papers and said, ‘If you really learn all of these, you’ll know 90% of what matters today. " My question is, what are these 40 papers? submitted by /u/Gryphx [link] [comments]  ( 42 min )

​ sample chat with my annoyed neighbor I built ChatFAI about a month ago. It's a simple web app that allows you to interact with your favorite characters from movies, TV shows, books, history, and beyond. People are having fun talking to whomever they want to talk to. There is a public characters library and you can also create custom characters based on anyone (or even your imagination). I have been actively improving it and have made it much better recently. So, I wanted to share it here to get feedback. The reason for sharing it here is I want feedback from you all. Let me know if there is anything else I should add or change. Here it is: https://chatfai.com submitted by /u/usamaejazch [link] [comments]  ( 42 min )

Is there any work on applying Augmented Lagrangian method to constrained MDP problems that guarantee the constraint satisfaction as iterations goes? I tried to find but haven't got much result yet. Thanks for sharing any hints! submitted by /u/Sad-Dragonfruit-274 [link] [comments]  ( 41 min )

Hi, my agent is not working well, I feel like my reward function is not efficient. I'm trying to solve a control problem using the reinforcemnt learning, so my reward function was made with the state cost function. for example, reward = previous cost - current cost. so if the agent gets closer to the destination or makes any better control, it receives a positive reward. Otherwise, it will get a negative reward. but I don't think this is efficient.. Can anyone give me advice? Thanks all ​ https://preview.redd.it/rzf78ykzs0ga1.png?width=559&format=png&auto=webp&s=3f4cadb96f16eec59d221ab2b7f50f6839cf8ab6 submitted by /u/sonlightinn [link] [comments]  ( 42 min )

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Can someone please help with this question - https://ai.stackexchange.com/questions/39029/why-does-advantage-learning-help-function-approximators submitted by /u/Academic-Rent7800 [link] [comments]  ( 43 min )

Posted by Zvika Ben-Haim and Omer Nevo, Software Engineers, Google Research As global temperatures rise, wildfires around the world are becoming more frequent and more dangerous. Their effects are felt by many communities as people evacuate their homes or suffer harm even from proximity to the fire and smoke. As part of Google’s mission to help people access trusted information in critical moments, we use satellite imagery and machine learning (ML) to track wildfires and inform affected communities. Our wildfire tracker was recently expanded. It provides updated fire boundary information every 10–15 minutes, is more accurate than similar satellite products, and improves on our previous work. These boundaries are shown for large fires in the continental US, Mexico, and most of Cana…  ( 92 min )

As the Internet of Things (IoT) continues to gain more traction at a rapid pace, there is growing demand and need for the development of apps driven by this technology. However, this leaves businesses with a challenging question: which development tool to use for creating such apps? The simple answer is .NET. It is a… Read More »IoT Project: Why Is .NET The Best Choice? The post IoT Project: Why Is .NET The Best Choice? appeared first on Data Science Central.  ( 19 min )

Online prediction from experts is a fundamental problem in machine learning and several works have studied this problem under privacy constraints. We propose and analyze new algorithms for this problem that improve over the regret bounds of the best existing algorithms for non-adaptive adversaries. For approximate differential privacy, our algorithms achieve regret bounds of $\tilde{O}(\sqrt{T \log d} + \log d/\varepsilon)$ for the stochastic setting and $\tilde O(\sqrt{T \log d} + T^{1/3} \log d/\varepsilon)$ for oblivious adversaries (where $d$ is the number of experts). For pure DP, our algorithms are the first to obtain sub-linear regret for oblivious adversaries in the high-dimensional regime $d \ge T$. Moreover, we prove new lower bounds for adaptive adversaries. Our results imply that unlike the non-private setting, there is a strong separation between the optimal regret for adaptive and non-adaptive adversaries for this problem. Our lower bounds also show a separation between pure and approximate differential privacy for adaptive adversaries where the latter is necessary to achieve the non-private $O(\sqrt{T})$ regret.  ( 2 min )

In the age of big data and interpretable machine learning, approaches need to work at scale and at the same time allow for a clear mathematical understanding of the method's inner workings. While there exist inherently interpretable semi-parametric regression techniques for large-scale applications to account for non-linearity in the data, their model complexity is still often restricted. One of the main limitations are missing interactions in these models, which are not included for the sake of better interpretability, but also due to untenable computational costs. To address this shortcoming, we derive a scalable high-order tensor product spline model using a factorization approach. Our method allows to include all (higher-order) interactions of non-linear feature effects while having computational costs proportional to a model without interactions. We prove both theoretically and empirically that our methods scales notably better than existing approaches, derive meaningful penalization schemes and also discuss further theoretical aspects. We finally investigate predictive and estimation performance both with synthetic and real data.  ( 2 min )

The use of Artificial Intelligence (AI) in the real estate market has been growing in recent years. In this paper, we propose a new method for property valuation that utilizes self-supervised vision transformers, a recent breakthrough in computer vision and deep learning. Our proposed algorithm uses a combination of machine learning, computer vision and hedonic pricing models trained on real estate data to estimate the value of a given property. We collected and pre-processed a data set of real estate properties in the city of Boulder, Colorado and used it to train, validate and test our algorithm. Our data set consisted of qualitative images (including house interiors, exteriors, and street views) as well as quantitative features such as the number of bedrooms, bathrooms, square footage, lot square footage, property age, crime rates, and proximity to amenities. We evaluated the performance of our model using metrics such as Root Mean Squared Error (RMSE). Our findings indicate that these techniques are able to accurately predict the value of properties, with a low RMSE. The proposed algorithm outperforms traditional appraisal methods that do not leverage property images and has the potential to be used in real-world applications.  ( 2 min )

This effort is focused on examining the behavior of reinforcement learning systems in personalization environments and detailing the differences in policy entropy associated with the type of learning algorithm utilized. We demonstrate that Policy Optimization agents often possess low-entropy policies during training, which in practice results in agents prioritizing certain actions and avoiding others. Conversely, we also show that Q-Learning agents are far less susceptible to such behavior and generally maintain high-entropy policies throughout training, which is often preferable in real-world applications. We provide a wide range of numerical experiments as well as theoretical justification to show that these differences in entropy are due to the type of learning being employed.  ( 2 min )

Learning-based behavior prediction methods are increasingly being deployed in real-world autonomous systems, e.g., in fleets of self-driving vehicles, which are beginning to commercially operate in major cities across the world. Despite their advancements, however, the vast majority of prediction systems are specialized to a set of well-explored geographic regions or operational design domains, complicating deployment to additional cities, countries, or continents. Towards this end, we present a novel method for efficiently adapting behavior prediction models to new environments. Our approach leverages recent advances in meta-learning, specifically Bayesian regression, to augment existing behavior prediction models with an adaptive layer that enables efficient domain transfer via offline fine-tuning, online adaptation, or both. Experiments across multiple real-world datasets demonstrate that our method can efficiently adapt to a variety of unseen environments.  ( 2 min )

Optimal transport (OT) has become exceedingly popular in machine learning, data science, and computer vision. The core assumption in the OT problem is the equal total amount of mass in source and target measures, which limits its application. Optimal Partial Transport (OPT) is a recently proposed solution to this limitation. Similar to the OT problem, the computation of OPT relies on solving a linear programming problem (often in high dimensions), which can become computationally prohibitive. In this paper, we propose an efficient algorithm for calculating the OPT problem between two non-negative measures in one dimension. Next, following the idea of sliced OT distances, we utilize slicing to define the sliced OPT distance. Finally, we demonstrate the computational and accuracy benefits of the sliced OPT-based method in various numerical experiments. In particular, we show an application of our proposed Sliced-OPT in noisy point cloud registration.  ( 2 min )

The financial markets, which involve more than $90 trillion in market capitalization, attract the attention of innumerable investors around the world. Recently, reinforcement learning in financial markets (FinRL) emerges as a promising direction to train agents for making profitable investment decisions. However, the evaluation of most FinRL methods only focus on profit-related measures, which are far from satisfactory for practitioners to deploy these methods into real-world financial markets. Therefore, we introduce PRUDEX-Compass, which has 6 axes, i.e., Profitability, Risk-control, Universality, Diversity, rEliability, and eXplainability, with a total of 17 measures for a systematic evaluation. Specifically, i) we propose AlphaMix+ as a strong FinRL baseline, which leverages Mixture-of-Experts (MoE) and risk-10 sensitive approaches to make diversified risk-aware investment decisions, ii) we11 evaluate 8 widely used FinRL methods in 4 long-term real-world datasets of influential financial markets to demonstrate the usage of our PRUDEX-Compass, iii) PRUDEX-Compass1 together with 4 real-world datasets, standard implementation of 8 FinRL methods and a portfolio management RL environment is released as public resources to facilitate the design and comparison of new FinRL methods. We hope that PRUDEX-Compass can shed light on future FinRL research to prevent untrustworthy results from stagnating FinRL into successful industry deployment.  ( 2 min )

Online reinforcement learning and other adaptive sampling algorithms are increasingly used in digital intervention experiments to optimize treatment delivery for users over time. In this work, we focus on longitudinal user data collected by a large class of adaptive sampling algorithms that are designed to optimize treatment decisions online using accruing data from multiple users. Combining or "pooling" data across users allows adaptive sampling algorithms to potentially learn faster. However, by pooling, these algorithms induce dependence between the collected user data trajectories; we show that this can cause standard variance estimators for i.i.d. data to underestimate the true variance of common estimators on this data type. We develop novel methods to perform a variety of statistical analyses on such adaptively collected data via Z-estimation. Specifically, we introduce the adaptive sandwich variance estimator, a corrected sandwich estimator that leads to consistent variance estimates under adaptive sampling. Additionally, to prove our results we develop significant theory for empirical processes on non-i.i.d., adaptively collected, longitudinal data. This work is motivated by our efforts in designing experiments in which online reinforcement learning algorithms pool data across users to learn to optimize treatment decisions, yet reliable statistical inference is essential for conducting a variety of statistical analyses after the experiment is over.  ( 2 min )

The higher speed, scalability and parallelism offered by ReRAM crossbar arrays foster development of ReRAM-based next generation AI accelerators. At the same time, sensitivity of ReRAM to temperature variations decreases R_on/Roff ratio and negatively affects the achieved accuracy and reliability of the hardware. Various works on temperature-aware optimization and remapping in ReRAM crossbar arrays reported up to 58\% improvement in accuracy and 2.39$\times$ ReRAM lifetime enhancement. This paper classifies the challenges caused by thermal heat, starting from constraints in ReRAM cells' dimensions and characteristics to their placement in the architecture. In addition, it reviews available solutions designed to mitigate the impact of these challenges, including emerging temperature-resilient DNN training methods. Our work also provides a summary of the techniques and their advantages and limitations.  ( 2 min )

Hierarchical Clustering is a popular unsupervised machine learning method with decades of history and numerous applications. We initiate the study of differentially private approximation algorithms for hierarchical clustering under the rigorous framework introduced by (Dasgupta, 2016). We show strong lower bounds for the problem: that any $\epsilon$-DP algorithm must exhibit $O(|V|^2/ \epsilon)$-additive error for an input dataset $V$. Then, we exhibit a polynomial-time approximation algorithm with $O(|V|^{2.5}/ \epsilon)$-additive error, and an exponential-time algorithm that meets the lower bound. To overcome the lower bound, we focus on the stochastic block model, a popular model of graphs, and, with a separation assumption on the blocks, propose a private $1+o(1)$ approximation algorithm which also recovers the blocks exactly. Finally, we perform an empirical study of our algorithms and validate their performance.  ( 2 min )

This work proposes a new method to sequentially train deep neural networks on multiple tasks without suffering catastrophic forgetting, while endowing it with the capability to quickly adapt to unseen tasks. Starting from existing work on network masking (Wortsman et al., 2020), we show that simply learning a linear combination of a small number of task-specific supermasks (impressions) on a randomly initialized backbone network is sufficient to both retain accuracy on previously learned tasks, as well as achieve high accuracy on unseen tasks. In contrast to previous methods, we do not require to generate dedicated masks or contexts for each new task, instead leveraging transfer learning to keep per-task parameter overhead small. Our work illustrates the power of linearly combining individual impressions, each of which fares poorly in isolation, to achieve performance comparable to a dedicated mask. Moreover, even repeated impressions from the same task (homogeneous masks), when combined, can approach the performance of heterogeneous combinations if sufficiently many impressions are used. Our approach scales more efficiently than existing methods, often requiring orders of magnitude fewer parameters and can function without modification even when task identity is missing. In addition, in the setting where task labels are not given at inference, our algorithm gives an often favorable alternative to the one-shot procedure used by Wortsman et al., 2020. We evaluate our method on a number of well-known image classification datasets and network architectures.  ( 2 min )

Few-shot learning involves learning an effective model from only a few labeled datapoints. The use of a small training set makes it difficult to avoid overfitting but also makes few-shot learning applicable to many important real-world settings. In this work, we focus on Few-shot Learning with Auxiliary Data (FLAD), a training paradigm that assumes access to auxiliary data during few-shot learning in hopes of improving generalization. Introducing auxiliary data during few-shot learning leads to essential design choices where hand-designed heuristics can lead to sub-optimal performance. In this work, we focus on automated sampling strategies for FLAD and relate them to the explore-exploit dilemma that is central in multi-armed bandit settings. Based on this connection we propose two algorithms -- EXP3-FLAD and UCB1-FLAD -- and compare them with methods that either explore or exploit, finding that the combination of exploration and exploitation is crucial. Using our proposed algorithms to train T5 yields a 9% absolute improvement over the explicitly multi-task pre-trained T0 model across 11 datasets.

Large-scale, two-sided matching platforms must find market outcomes that align with user preferences while simultaneously learning these preferences from data. Classical notions of stability (Gale and Shapley, 1962; Shapley and Shubik, 1971) are unfortunately of limited value in the learning setting, given that preferences are inherently uncertain and destabilizing while they are being learned. To bridge this gap, we develop a framework and algorithms for learning stable market outcomes under uncertainty. Our primary setting is matching with transferable utilities, where the platform both matches agents and sets monetary transfers between them. We design an incentive-aware learning objective that captures the distance of a market outcome from equilibrium. Using this objective, we analyze the complexity of learning as a function of preference structure, casting learning as a stochastic multi-armed bandit problem. Algorithmically, we show that "optimism in the face of uncertainty," the principle underlying many bandit algorithms, applies to a primal-dual formulation of matching with transfers and leads to near-optimal regret bounds. Our work takes a first step toward elucidating when and how stable matchings arise in large, data-driven marketplaces.

Machine learning models can be improved by adapting them to respect existing background knowledge. In this paper we consider multitask Gaussian processes, with background knowledge in the form of constraints that require a specific sum of the outputs to be constant. This is achieved by conditioning the prior distribution on the constraint fulfillment. The approach allows for both linear and nonlinear constraints. We demonstrate that the constraints are fulfilled with high precision and that the construction can improve the overall prediction accuracy as compared to the standard Gaussian process.

Many compression techniques have been proposed to reduce the communication overhead of Federated Learning training procedures. However, these are typically designed for compressing model updates, which are expected to decay throughout training. As a result, such methods are inapplicable to downlink (i.e., from the parameter server to clients) compression in the cross-device setting, where heterogeneous clients $\textit{may appear only once}$ during training and thus must download the model parameters. In this paper, we propose a new framework ($\texttt{DoCoFL}$) for downlink compression in the cross-device federated learning setting. Importantly, $\texttt{DoCoFL}$ can be seamlessly combined with many uplink compression schemes, rendering it suitable for bi-directional compression. Through extensive evaluation, we demonstrate that $\texttt{DoCoFL}$ offers significant bi-directional bandwidth reduction while achieving competitive accuracy to that of $\texttt{FedAvg}$ without compression.

Empirical neural tangent kernels (eNTKs) can provide a good understanding of a given network's representation: they are often far less expensive to compute and applicable more broadly than infinite width NTKs. For networks with O output units (e.g. an O-class classifier), however, the eNTK on N inputs is of size $NO \times NO$, taking $O((NO)^2)$ memory and up to $O((NO)^3)$ computation. Most existing applications have therefore used one of a handful of approximations yielding $N \times N$ kernel matrices, saving orders of magnitude of computation, but with limited to no justification. We prove that one such approximation, which we call "sum of logits", converges to the true eNTK at initialization for any network with a wide final "readout" layer. Our experiments demonstrate the quality of this approximation for various uses across a range of settings.

In this paper we examine the relationship between the flow of the replicator dynamic, the continuum limit of Multiplicative Weights Update, and a game's response graph. We settle an open problem establishing that under the replicator, sink chain components -- a topological notion of long-run outcome of a dynamical system -- always exist and are approximated by the sink connected components of the game's response graph. More specifically, each sink chain component contains a sink connected component of the response graph, as well as all mixed strategy profiles whose support consists of pure profiles in the same connected component, a set we call the content of the connected component. As a corollary, all profiles are chain recurrent in games with strongly connected response graphs. In any two-player game sharing a response graph with a zero-sum game, the sink chain component is unique. In two-player zero-sum and potential games the sink chain components and sink connected components are in a one-to-one correspondence, and we conjecture that this holds in all games.

Background: While deep learning technology, which has the capability of obtaining latent representations based on large-scale data, can be a potential solution for the discovery of a novel aging biomarker, existing deep learning methods for biological age estimation usually depend on chronological ages and lack of consideration of mortality and morbidity that are the most significant outcomes of aging. Methods: This paper proposes a novel deep learning model to learn latent representations of biological aging in regard to subjects' morbidity and mortality. The model utilizes health check-up data in addition to morbidity and mortality information to learn the complex relationships between aging and measured clinical attributes. Findings: The proposed model is evaluated on a large dataset of general populations compared with KDM and other learning-based models. Results demonstrate that biological ages obtained by the proposed model have superior discriminability of subjects' morbidity and mortality.

Machine learning algorithms based on parametrized quantum circuits are prime candidates for near-term applications on noisy quantum computers. In this direction, various types of quantum machine learning models have been introduced and studied extensively. Yet, our understanding of how these models compare, both mutually and to classical models, remains limited. In this work, we identify a constructive framework that captures all standard models based on parametrized quantum circuits: that of linear quantum models. In particular, we show using tools from quantum information theory how data re-uploading circuits, an apparent outlier of this framework, can be efficiently mapped into the simpler picture of linear models in quantum Hilbert spaces. Furthermore, we analyze the experimentally-relevant resource requirements of these models in terms of qubit number and amount of data needed to learn. Based on recent results from classical machine learning, we prove that linear quantum models must utilize exponentially more qubits than data re-uploading models in order to solve certain learning tasks, while kernel methods additionally require exponentially more data points. Our results provide a more comprehensive view of quantum machine learning models as well as insights on the compatibility of different models with NISQ constraints.

Being able to harness the power of large, static datasets for developing autonomous multi-agent systems could unlock enormous value for real-world applications. Many important industrial systems are multi-agent in nature and are difficult to model using bespoke simulators. However, in industry, distributed system processes can often be recorded during operation, and large quantities of demonstrative data can be stored. Offline multi-agent reinforcement learning (MARL) provides a promising paradigm for building effective online controllers from static datasets. However, offline MARL is still in its infancy, and, therefore, lacks standardised benchmarks, baselines and evaluation protocols typically found in more mature subfields of RL. This deficiency makes it difficult for the community to sensibly measure progress. In this work, we aim to fill this gap by releasing \emph{off-the-grid MARL (OG-MARL)}: a framework for generating offline MARL datasets and algorithms. We release an initial set of datasets and baselines for cooperative offline MARL, created using the framework, along with a standardised evaluation protocol. Our datasets provide settings that are characteristic of real-world systems, including complex dynamics, non-stationarity, partial observability, suboptimality and sparse rewards, and are generated from popular online MARL benchmarks. We hope that OG-MARL will serve the community and help steer progress in offline MARL, while also providing an easy entry point for researchers new to the field.

Decentralized Exchanges (DEXs) are new types of marketplaces leveraging Blockchain technology. They allow users to trade assets with Automatic Market Makers (AMM), using funds provided by liquidity providers, removing the need for order books. One such DEX, Uniswap v3, allows liquidity providers to allocate funds more efficiently by specifying an active price interval for their funds. This introduces the problem of finding an optimal strategy for choosing price intervals. We formalize this problem as an online learning problem with non-stochastic rewards. We use regret-minimization methods to show a liquidity provision strategy that guarantees a lower bound on the reward. This is true even for non-stochastic changes to asset pricing, and we express this bound in terms of the trading volume.

There are several approaches for encoding source code in the input vectors of neural models. These approaches attempt to include various syntactic and semantic features of input programs in their encoding. In this paper, we investigate Code2Snapshot, a novel representation of the source code that is based on the snapshots of input programs. We evaluate several variations of this representation and compare its performance with state-of-the-art representations that utilize the rich syntactic and semantic features of input programs. Our preliminary study on the utility of Code2Snapshot in the code summarization and code classification tasks suggests that simple snapshots of input programs have comparable performance to state-of-the-art representations. Interestingly, obscuring input programs have insignificant impacts on the Code2Snapshot performance, suggesting that, for some tasks, neural models may provide high performance by relying merely on the structure of input programs.

We present Cross-Client Label Propagation(XCLP), a new method for transductive federated learning. XCLP estimates a data graph jointly from the data of multiple clients and computes labels for the unlabeled data by propagating label information across the graph. To avoid clients having to share their data with anyone, XCLP employs two cryptographically secure protocols: secure Hamming distance computation and secure summation. We demonstrate two distinct applications of XCLP within federated learning. In the first, we use it in a one-shot way to predict labels for unseen test points. In the second, we use it to repeatedly pseudo-label unlabeled training data in a federated semi-supervised setting. Experiments on both real federated and standard benchmark datasets show that in both applications XCLP achieves higher classification accuracy than alternative approaches.

We develop an extension of posterior sampling for reinforcement learning (PSRL) that is suited for a continuing agent-environment interface and integrates naturally into agent designs that scale to complex environments. The approach, continuing PSRL, maintains a statistically plausible model of the environment and follows a policy that maximizes expected $\gamma$-discounted return in that model. At each time, with probability $1-\gamma$, the model is replaced by a sample from the posterior distribution over environments. For a choice of discount factor that suitably depends on the horizon $T$, we establish an $\tilde{O}(\tau S \sqrt{A T})$ bound on the Bayesian regret, where $S$ is the number of environment states, $A$ is the number of actions, and $\tau$ denotes the reward averaging time, which is a bound on the duration required to accurately estimate the average reward of any policy. Our work is the first to formalize and rigorously analyze the resampling approach with randomized exploration.

Short-term forecasting of solar photovoltaic energy (PV) production is important for powerplant management. Ideally these forecasts are equipped with error bars, so that downstream decisions can account for uncertainty. To produce predictions with error bars in this setting, we consider Gaussian processes (GPs) for modelling and predicting solar photovoltaic energy production in the UK. A standard application of GP regression on the PV timeseries data is infeasible due to the large data size and non-Gaussianity of PV readings. However, this is made possible by leveraging recent advances in scalable GP inference, in particular, by using the state-space form of GPs, combined with modern variational inference techniques. The resulting model is not only scalable to large datasets but can also handle continuous data streams via Kalman filtering.

Transformer and its variants are fundamental neural architectures in deep learning. Recent works show that learning attention in the Fourier space can improve the long sequence learning capability of Transformers. We argue that wavelet transform shall be a better choice because it captures both position and frequency information with a linear time complexity. Therefore, in this paper, we systematically study the synergy between wavelet transform and Transformers. Specifically, we focus on a new paradigm WISE, which replaces the attention in Transformers by (1) applying forward wavelet transform to project the input sequences to multi-resolution bases, (2) conducting non-linear transformations in the wavelet coefficient space, and (3) reconstructing the representation in input space via backward wavelet transform. Extensive experiments on the Long Range Arena benchmark demonstrate that learning attention in the wavelet space using either fixed or adaptive wavelets can consistently improve Transformer's performance and also significantly outperform Fourier-based methods.

Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many scientific and engineering problems involving geometrical design, it is desirable for the surrogate models to precisely describe the change in geometry and predict the consequences. In that context, we develop graph neural networks (GNNs) as fast surrogate models for physics simulation, which allow us to directly train the models on 2/3D geometry designs that are represented by an unstructured mesh or point cloud, without the need for any explicit or hand-crafted parameterization. We utilize an encoder-processor-decoder-type architecture which can flexibly make prediction at both node level and graph level. The performance of our proposed GNN-based surrogate model is demonstrated on 2 example applications: feature designs in the domain of additive engineering and airfoil design in the domain of aerodynamics. The models show good accuracy in their predictions on a separate set of test geometries after training, with almost instant prediction speeds, as compared to O(hour) for the high-fidelity simulations required otherwise.

In this paper, we perform deep neural networks for learning $\psi$-weakly dependent processes. Such weak-dependence property includes a class of weak dependence conditions such as mixing, association,$\cdots$ and the setting considered here covers many commonly used situations such as: regression estimation, time series prediction, time series classification,$\cdots$ The consistency of the empirical risk minimization algorithm in the class of deep neural networks predictors is established. We achieve the generalization bound and obtain a learning rate, which is less than $\mathcal{O}(n^{-1/\alpha})$, for all $\alpha > 2 $. Applications to binary time series classification and prediction in affine causal models with exogenous covariates are carried out. Some simulation results are provided, as well as an application to the US recession data.

Producing thousands of simulations of the dark matter distribution in the Universe with increasing precision is a challenging but critical task to facilitate the exploitation of current and forthcoming cosmological surveys. Many inexpensive substitutes to full $N$-body simulations have been proposed, even though they often fail to reproduce the statistics of the smaller, non-linear scales. Among these alternatives, a common approximation is represented by the lognormal distribution, which comes with its own limitations as well, while being extremely fast to compute even for high-resolution density fields. In this work, we train a generative deep learning model, mainly made of convolutional layers, to transform projected lognormal dark matter density fields to more realistic dark matter maps, as obtained from full $N$-body simulations. We detail the procedure that we follow to generate highly correlated pairs of lognormal and simulated maps, which we use as our training data, exploiting the information of the Fourier phases. We demonstrate the performance of our model comparing various statistical tests with different field resolutions, redshifts and cosmological parameters, proving its robustness and explaining its current limitations. When evaluated on 100 test maps, the augmented lognormal random fields reproduce the power spectrum up to wavenumbers of $1 \ h \ \rm{Mpc}^{-1}$, and the bispectrum within 10%, and always within the error bars, of the fiducial target simulations. Finally, we describe how we plan to integrate our proposed model with existing tools to yield more accurate spherical random fields for weak lensing analysis.

To cope with real-world dynamics, an intelligent agent needs to incrementally acquire, update, accumulate, and exploit knowledge throughout its lifetime. This ability, known as continual learning, provides a foundation for AI systems to develop themselves adaptively. In a general sense, continual learning is explicitly limited by catastrophic forgetting, where learning a new task usually results in a dramatic performance drop of the old tasks. Beyond this, increasingly numerous advances have emerged in recent years that largely extend the understanding and application of continual learning. The growing and widespread interest in this direction demonstrates its realistic significance as well as complexity. In this work, we present a comprehensive survey of continual learning, seeking to bridge the basic settings, theoretical foundations, representative methods, and practical applications. Based on existing theoretical and empirical results, we summarize the general objectives of continual learning as ensuring a proper stability-plasticity trade-off and an adequate intra/inter-task generalizability in the context of resource efficiency. Then we provide a state-of-the-art and elaborated taxonomy, extensively analyzing how representative strategies address continual learning, and how they are adapted to particular challenges in various applications. Through an in-depth discussion of continual learning in terms of the current trends, cross-directional prospects and interdisciplinary connections with neuroscience, we believe that such a holistic perspective can greatly facilitate subsequent exploration in this field and beyond.

This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.

We propose improved exact and heuristic algorithms for solving the maximum weight clique problem, a well-known problem in graph theory with many applications. Our algorithms interleave successful techniques from related work with novel data reduction rules that use local graph structure to identify and remove vertices and edges while retaining the optimal solution. We evaluate our algorithms on a range of synthetic and real-world graphs, and find that they outperform the current state of the art on most inputs. Our data reductions always produce smaller reduced graphs than existing data reductions alone. As a result, our exact algorithm, MWCRedu, finds solutions orders of magnitude faster on naturally weighted, medium-sized map labeling graphs and random hyperbolic graphs. Our heuristic algorithm, MWCPeel, outperforms its competitors on these instances, but is slightly less effective on extremely dense or large instances.

In this article, we advocate for the design of ad hoc artificial intelligence (AI)/machine learning (ML) models to facilitate their usage in future smart infrastructures based on communication networks. To motivate this, we first review key operations identified by the 3GPP for transferring AI/ML models through 5G networks and the main existing techniques to reduce their communication overheads. We also present a novel communication-aware ML framework, which we refer to as Accordion, that enables an efficient AI/ML model transfer thanks to an overhauled model training and communication protocol. We demonstrate the communication-related benefits of Accordion, analyse key performance trade-offs, and discuss potential research directions within this realm.

Recent breakthrough technological progressions of powerful mobile computing resources such as low-cost mobile GPUs along with cutting-edge, open-source software architectures have enabled high-performance deep learning on mobile platforms. These advancements have revolutionized the capabilities of today's mobile applications in different dimensions to perform data-driven intelligence locally, particularly for smart health applications. Unlike traditional machine learning (ML) architectures, modern on-device deep learning frameworks are proficient in utilizing computing resources in mobile platforms seamlessly, in terms of producing highly accurate results in less inference time. However, on the flip side, energy resources in a mobile device are typically limited. Hence, whenever a complex Deep Neural Network (DNN) architecture is fed into the on-device deep learning framework, while it achieves high prediction accuracy (and performance), it also urges huge energy demands during the runtime. Therefore, managing these resources efficiently within the spectrum of performance and energy efficiency is the newest challenge for any mobile application featuring data-driven intelligence beyond experimental evaluations. In this paper, first, we provide a timely review of recent advancements in on-device deep learning while empirically evaluating the performance metrics of current state-of-the-art ML architectures and conventional ML approaches with the emphasis given on energy characteristics by deploying them on a smart health application. With that, we are introducing a new framework through an energy-aware, adaptive model comprehension and realization (EAMCR) approach that can be utilized to make more robust and efficient inference decisions based on the available computing/energy resources in the mobile device during the runtime.

Coarse-grained (CG) molecular dynamics enables the study of biological processes at temporal and spatial scales that would be intractable at an atomistic resolution. However, accurately learning a CG force field remains a challenge. In this work, we leverage connections between score-based generative models, force fields and molecular dynamics to learn a CG force field without requiring any force inputs during training. Specifically, we train a diffusion generative model on protein structures from molecular dynamics simulations, and we show that its score function approximates a force field that can directly be used to simulate CG molecular dynamics. While having a vastly simplified training setup compared to previous work, we demonstrate that our approach leads to improved performance across several small- to medium-sized protein simulations, reproducing the CG equilibrium distribution, and preserving dynamics of all-atom simulations such as protein folding events.

Numerous dual-energy CT (DECT) techniques have been developed in the past few decades. Dual-energy CT (DECT) statistical iterative reconstruction (SIR) has demonstrated its potential for reducing noise and increasing accuracy. Our lab proposed a joint statistical DECT algorithm for stopping power estimation and showed that it outperforms competing image-based material-decomposition methods. However, due to its slow convergence and the high computational cost of projections, the elapsed time of 3D DECT SIR is often not clinically acceptable. Therefore, to improve its convergence, we have embedded DECT SIR into a deep learning model-based unrolled network for 3D DECT reconstruction (MB-DECTNet) that can be trained in an end-to-end fashion. This deep learning-based method is trained to learn the shortcuts between the initial conditions and the stationary points of iterative algorithms while preserving the unbiased estimation property of model-based algorithms. MB-DECTNet is formed by stacking multiple update blocks, each of which consists of a data consistency layer (DC) and a spatial mixer layer, where the spatial mixer layer is the shrunken U-Net, and the DC layer is a one-step update of an arbitrary traditional iterative method. Although the proposed network can be combined with numerous iterative DECT algorithms, we demonstrate its performance with the dual-energy alternating minimization (DEAM). The qualitative result shows that MB-DECTNet with DEAM significantly reduces noise while increasing the resolution of the test image. The quantitative result shows that MB-DECTNet has the potential to estimate attenuation coefficients accurately as traditional statistical algorithms but with a much lower computational cost.

We address the problem of validating the ouput of clustering algorithms. Given data $\mathcal{D}$ and a partition $\mathcal{C}$ of these data into $K$ clusters, when can we say that the clusters obtained are correct or meaningful for the data? This paper introduces a paradigm in which a clustering $\mathcal{C}$ is considered meaningful if it is good with respect to a loss function such as the K-means distortion, and stable, i.e. the only good clustering up to small perturbations. Furthermore, we present a generic method to obtain post-inference guarantees of near-optimality and stability for a clustering $\mathcal{C}$. The method can be instantiated for a variety of clustering criteria (also called loss functions) for which convex relaxations exist. Obtaining the guarantees amounts to solving a convex optimization problem. We demonstrate the practical relevance of this method by obtaining guarantees for the K-means and the Normalized Cut clustering criteria on realistic data sets. We also prove that asymptotic instability implies finite sample instability w.h.p., allowing inferences about the population clusterability from a sample. The guarantees do not depend on any distributional assumptions, but they depend on the data set $\mathcal{D}$ admitting a stable clustering.

Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have thus far been held back by limitations in their simulation-based maximum likelihood training. In this paper, we introduce a new technique called conditional flow matching (CFM), a simulation-free training objective for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, our CFM objective does not require the source distribution to be Gaussian or require evaluation of its density. Based on this new objective, we also introduce optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference. Code is available at https://github.com/atong01/conditional-flow-matching .

We consider the problem of learning a target function corresponding to a deep, extensive-width, non-linear neural network with random Gaussian weights. We consider the asymptotic limit where the number of samples, the input dimension and the network width are proportionally large. We derive a closed-form expression for the Bayes-optimal test error, for regression and classification tasks. We contrast these Bayes-optimal errors with the test errors of ridge regression, kernel and random features regression. We find, in particular, that optimally regularized ridge regression, as well as kernel regression, achieve Bayes-optimal performances, while the logistic loss yields a near-optimal test error for classification. We further show numerically that when the number of samples grows faster than the dimension, ridge and kernel methods become suboptimal, while neural networks achieve test error close to zero from quadratically many samples.

Visualization Recommendation Systems (VRS) are a novel and challenging field of study, whose aim is to automatically generate insightful visualizations from data, to support non-expert users in the process of information discovery. Despite its enormous application potential in the era of big data, progress in this area of research is being held back by several obstacles among which are the absence of standardized datasets to train recommendation algorithms, and the difficulty in defining quantitative criteria to assess the effectiveness of the generated plots. In this paper, we aim not only to summarize the state-of-the-art of VRS, but also to outline promising future research directions.

The inception of spatial transcriptomics has allowed improved comprehension of tissue architectures and the disentanglement of complex underlying biological, physiological, and pathological processes through their positional contexts. Recently, these contexts, and by extension the field, have seen much promise and elucidation with the application of graph learning approaches. In particular, neural operators have risen in regards to learning the mapping between infinite-dimensional function spaces. With basic to deep neural network architectures being data-driven, i.e. dependent on quality data for prediction, neural operators provide robustness by offering generalization among different resolutions despite low quality data. Graph neural operators are a variant that utilize graph networks to learn this mapping between function spaces. The aim of this research is to identify robust machine learning architectures that integrate spatial information to predict tissue types. Under this notion, we propose a study incorporating various graph neural network approaches to validate the efficacy of applying neural operators towards prediction of brain regions in mouse brain tissue samples as a proof of concept towards our purpose. We were able to achieve an F1 score of nearly 72% for the graph neural operator approach which outperformed all baseline and other graph network approaches.

Here we utilize a low-rank tensor model (LTM) as a function approximator, combined with the gradient descent method, to solve eigenvalue problems including the Laplacian operator and the harmonic oscillator. Experimental results show the superiority of the polynomial-based low-rank tensor model (PLTM) compared to the tensor neural network (TNN). We also test such low-rank architectures for the classification problem on the MNIST dataset.

Randomized smoothing is currently the state-of-the-art method that provides certified robustness for deep neural networks. However, it often cannot achieve an adequate certified region on real-world datasets. One way to obtain a larger certified region is to use an input-specific algorithm instead of using a fixed Gaussian filter for all data points. Several methods based on this idea have been proposed, but they either suffer from high computational costs or gain marginal improvement in certified radius. In this work, we show that by exploiting the quasiconvex problem structure, we can find the optimal certified radii for most data points with slight computational overhead. This observation leads to an efficient and effective input-specific randomized smoothing algorithm. We conduct extensive experiments and empirical analysis on Cifar10 and ImageNet. The results show that the proposed method significantly enhances the certified radii with low computational overhead.

Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the pace of scientific discovery. While science has traditionally relied on trial and error and even serendipity to a large extent, the last few decades have seen a surge of data-driven scientific discoveries. However, in order to truly leverage large-scale data sets and high-throughput experimental setups, machine learning methods will need to be further improved and better integrated in the scientific discovery pipeline. A key challenge for current machine learning methods in this context is the efficient exploration of very large search spaces, which requires techniques for estimating reducible (epistemic) uncertainty and generating sets of diverse and informative experiments to perform. This motivated a new probabilistic machine learning framework called GFlowNets, which can be applied in the modeling, hypotheses generation and experimental design stages of the experimental science loop. GFlowNets learn to sample from a distribution given indirectly by a reward function corresponding to an unnormalized probability, which enables sampling diverse, high-reward candidates. GFlowNets can also be used to form efficient and amortized Bayesian posterior estimators for causal models conditioned on the already acquired experimental data. Having such posterior models can then provide estimators of epistemic uncertainty and information gain that can drive an experimental design policy. Altogether, here we will argue that GFlowNets can become a valuable tool for AI-driven scientific discovery, especially in scenarios of very large candidate spaces where we have access to cheap but inaccurate measurements or to expensive but accurate measurements. This is a common setting in the context of drug and material discovery, which we use as examples throughout the paper.

Linearized Graph Neural Networks (GNNs) have attracted great attention in recent years for graph representation learning. Compared with nonlinear Graph Neural Network (GNN) models, linearized GNNs are much more time-efficient and can achieve comparable performances on typical downstream tasks such as node classification. Although some linearized GNN variants are purposely crafted to mitigate ``over-smoothing", empirical studies demonstrate that they still somehow suffer from this issue. In this paper, we instead relate over-smoothing with the vanishing gradient phenomenon and craft a gradient-free training framework to achieve more efficient and effective linearized GNNs which can significantly overcome over-smoothing and enhance the generalization of the model. The experimental results demonstrate that our methods achieve better and more stable performances on node classification tasks with varying depths and cost much less training time.

We study a class of reinforcement learning problems where the reward signals for policy learning are generated by a discriminator that is dependent on and jointly optimized with the policy. This interdependence between the policy and the discriminator leads to an unstable learning process because reward signals from an immature discriminator are noisy and impede policy learning, and conversely, an untrained policy impedes discriminator learning. We call this learning setting $\textit{Internally Rewarded Reinforcement Learning}$ (IRRL) as the reward is not provided directly by the environment but $\textit{internally}$ by the discriminator. In this paper, we formally formulate IRRL and present a class of problems that belong to IRRL. We theoretically derive and empirically analyze the effect of the reward function in IRRL and based on these analyses propose the clipped linear reward function. Experimental results show that the proposed reward function can consistently stabilize the training process by reducing the impact of reward noise, which leads to faster convergence and higher performance compared with baselines in diverse tasks.

The proliferation of automated data collection schemes and the advances in sensorics are increasing the amount of data we are able to monitor in real-time. However, given the high annotation costs and the time required by quality inspections, data is often available in an unlabeled form. This is fostering the use of active learning for the development of soft sensors and predictive models. In production, instead of performing random inspections to obtain product information, labels are collected by evaluating the information content of the unlabeled data. Several query strategy frameworks for regression have been proposed in the literature but most of the focus has been dedicated to the static pool-based scenario. In this work, we propose a new strategy for the stream-based scenario, where instances are sequentially offered to the learner, which must instantaneously decide whether to perform the quality check to obtain the label or discard the instance. The approach is inspired by the optimal experimental design theory and the iterative aspect of the decision-making process is tackled by setting a threshold on the informativeness of the unlabeled data points. The proposed approach is evaluated using numerical simulations and the Tennessee Eastman Process simulator. The results confirm that selecting the examples suggested by the proposed algorithm allows for a faster reduction in the prediction error.

Objective: Reliable tools to predict moyamoya disease (MMD) patients at risk for hemorrhage could have significant value. The aim of this paper is to develop three machine learning classification algorithms to predict hemorrhage in moyamoya disease. Methods: Clinical data of consecutive MMD patients who were admitted to our hospital between 2009 and 2015 were reviewed. Demographics, clinical, radiographic data were analyzed to develop artificial neural network (ANN), support vector machine (SVM), and random forest models. Results: We extracted 33 parameters, including 11 demographic and 22 radiographic features as input for model development. Of all compared classification results, ANN achieved the highest overall accuracy of 75.7% (95% CI, 68.6%-82.8%), followed by SVM with 69.2% (95% CI, 56.9%-81.5%) and random forest with 70.0% (95% CI, 57.0%-83.0%). Conclusions: The proposed ANN framework can be a potential effective tool to predict the possibility of hemorrhage among adult MMD patients based on clinical information and radiographic features.

Annotating multi-class instances is a crucial task in the field of machine learning. Unfortunately, identifying the correct class label from a long sequence of candidate labels is time-consuming and laborious. To alleviate this problem, we design a novel labeling mechanism called stochastic label. In this setting, stochastic label includes two cases: 1) identify a correct class label from a small number of randomly given labels; 2) annotate the instance with None label when given labels do not contain correct class label. In this paper, we propose a novel suitable approach to learn from these stochastic labels. We obtain an unbiased estimator that utilizes less supervised information in stochastic labels to train a multi-class classifier. Additionally, it is theoretically justifiable by deriving the estimation error bound of the proposed method. Finally, we conduct extensive experiments on widely-used benchmark datasets to validate the superiority of our method by comparing it with existing state-of-the-art methods.

In consumer theory, ranking available objects by means of preference relations yields the most common description of individual choices. However, preference-based models assume that individuals: (1) give their preferences only between pairs of objects; (2) are always able to pick the best preferred object. In many situations, they may be instead choosing out of a set with more than two elements and, because of lack of information and/or incomparability (objects with contradictory characteristics), they may not able to select a single most preferred object. To address these situations, we need a choice-model which allows an individual to express a set-valued choice. Choice functions provide such a mathematical framework. We propose a Gaussian Process model to learn choice functions from choice-data. The proposed model assumes a multiple utility representation of a choice function based on the concept of Pareto rationalization, and derives a strategy to learn both the number and the values of these latent multiple utilities. Simulation experiments demonstrate that the proposed model outperforms the state-of-the-art methods.

We study mean-field variational Bayesian inference using the TAP approach, for Z2-synchronization as a prototypical example of a high-dimensional Bayesian model. We show that for any signal strength $\lambda > 1$ (the weak-recovery threshold), there exists a unique local minimizer of the TAP free energy functional near the mean of the Bayes posterior law. Furthermore, the TAP free energy in a local neighborhood of this minimizer is strongly convex. Consequently, a natural-gradient/mirror-descent algorithm achieves linear convergence to this minimizer from a local initialization, which may be obtained by a constant number of iterates of Approximate Message Passing (AMP). This provides a rigorous foundation for variational inference in high dimensions via minimization of the TAP free energy. We also analyze the finite-sample convergence of AMP, showing that AMP is asymptotically stable at the TAP minimizer for any $\lambda > 1$, and is linearly convergent to this minimizer from a spectral initialization for sufficiently large $\lambda$. Such a guarantee is stronger than results obtainable by state evolution analyses, which only describe a fixed number of AMP iterations in the infinite-sample limit. Our proofs combine the Kac-Rice formula and Sudakov-Fernique Gaussian comparison inequality to analyze the complexity of critical points that satisfy strong convexity and stability conditions within their local neighborhoods.

Federated learning (FL) provides an emerging approach for collaboratively training semantic encoder/decoder models of semantic communication systems, without private user data leaving the devices. Most existing studies on trustworthy FL aim to eliminate data poisoning threats that are produced by malicious clients, but in many cases, eliminating model poisoning attacks brought by fake servers is also an important objective. In this paper, a certificateless authentication-based trustworthy federated learning (CATFL) framework is proposed, which mutually authenticates the identity of clients and server. In CATFL, each client verifies the server's signature information before accepting the delivered global model to ensure that the global model is not delivered by false servers. On the contrary, the server also verifies the server's signature information before accepting the delivered model updates to ensure that they are submitted by authorized clients. Compared to PKI-based methods, the CATFL can avoid too high certificate management overheads. Meanwhile, the anonymity of clients shields data poisoning attacks, while real-name registration may suffer from user-specific privacy leakage risks. Therefore, a pseudonym generation strategy is also presented in CATFL to achieve a trade-off between identity traceability and user anonymity, which is essential to conditionally prevent from user-specific privacy leakage. Theoretical security analysis and evaluation results validate the superiority of CATFL.

We show that a kernel estimator using multiple function evaluations can be easily converted into a sampling-based bandit estimator with expectation equal to the original kernel estimate. Plugging such a bandit estimator into the standard FTRL algorithm yields a bandit convex optimisation algorithm that achieves $\tilde{O}(t^{1/2})$ regret against adversarial time-varying convex loss functions.

Automatic material discovery with desired properties is a fundamental challenge for material sciences. Considerable attention has recently been devoted to generating stable crystal structures. While existing work has shown impressive success on supervised tasks such as property prediction, the progress on unsupervised tasks such as material generation is still hampered by the limited extent to which the equivalent geometric representations of the same crystal are considered. To address this challenge, we propose EMPNN a periodic equivariant message-passing neural network that learns crystal lattice deformation in an unsupervised fashion. Our model equivalently acts on lattice according to the deformation action that must be performed, making it suitable for crystal generation, relaxation and optimisation. We present experimental evaluations that demonstrate the effectiveness of our approach.

The problem of long-tailed recognition (LTR) has received attention in recent years due to the fundamental power-law distribution of objects in the real-world. Most recent works in LTR use softmax classifiers that have a tendency to correlate classifier norm with the amount of training data for a given class. On the other hand, Prototype classifiers do not suffer from this shortcoming and can deliver promising results simply using Nearest-Class-Mean (NCM), a special case where prototypes are empirical centroids. However, the potential of Prototype classifiers as an alternative to softmax in LTR is relatively underexplored. In this work, we propose Prototype classifiers, which jointly learn prototypes that minimize average cross-entropy loss based on probability scores from distances to prototypes. We theoretically analyze the properties of Euclidean distance based prototype classifiers that leads to stable gradient-based optimization which is robust to outliers. We further enhance Prototype classifiers by learning channel-dependent temperature parameters to enable independent distance scales along each channel. Our analysis shows that prototypes learned by Prototype classifiers are better separated than empirical centroids. Results on four long-tailed recognition benchmarks show that Prototype classifier outperforms or is comparable to the state-of-the-art methods.

In many industrial applications, obtaining labeled observations is not straightforward as it often requires the intervention of human experts or the use of expensive testing equipment. In these circumstances, active learning can be highly beneficial in suggesting the most informative data points to be used when fitting a model. Reducing the number of observations needed for model development alleviates both the computational burden required for training and the operational expenses related to labeling. Online active learning, in particular, is useful in high-volume production processes where the decision about the acquisition of the label for a data point needs to be taken within an extremely short time frame. However, despite the recent efforts to develop online active learning strategies, the behavior of these methods in the presence of outliers has not been thoroughly examined. In this work, we investigate the performance of online active linear regression in contaminated data streams. Our study shows that the currently available query strategies are prone to sample outliers, whose inclusion in the training set eventually degrades the predictive performance of the models. To address this issue, we propose a solution that bounds the search area of a conditional D-optimal algorithm and uses a robust estimator. Our approach strikes a balance between exploring unseen regions of the input space and protecting against outliers. Through numerical simulations, we show that the proposed method is effective in improving the performance of online active learning in the presence of outliers, thus expanding the potential applications of this powerful tool.

Offline reinforcement learning is important in domains such as medicine, economics, and e-commerce where online experimentation is costly, dangerous or unethical, and where the true model is unknown. However, most methods assume all covariates used in the behavior policy's action decisions are observed. This untestable assumption may be incorrect. We study robust policy evaluation and policy optimization in the presence of unobserved confounders. We assume the extent of possible unobserved confounding can be bounded by a sensitivity model, and that the unobserved confounders are sequentially exogenous. We propose and analyze an (orthogonalized) robust fitted-Q-iteration that uses closed-form solutions of the robust Bellman operator to derive a loss minimization problem for the robust Q function. Our algorithm enjoys the computational ease of fitted-Q-iteration and statistical improvements (reduced dependence on quantile estimation error) from orthogonalization. We provide sample complexity bounds, insights, and show effectiveness in simulations.

The Causality field aims to find systematic methods for uncovering cause-effect relationships. Such methods can find applications in many research fields, justifying a great interest in this domain. Machine Learning models have shown success in a large variety of tasks by extracting correlation patterns from high-dimensional data but still struggle when generalizing out of their initial distribution. As causal engines aim to learn mechanisms that are independent from a data distribution, combining Machine Learning with Causality has the potential to bring benefits to the two fields. In our work, we motivate this assumption and provide applications. We first perform an extensive overview of the theories and methods for Causality from different perspectives. We then provide a deeper look at the connections between Causality and Machine Learning and describe the challenges met by the two domains. We show the early attempts to bring the fields together and the possible perspectives for the future. We finish by providing a large variety of applications for techniques from Causality.

Classical quickest change detection algorithms require modeling pre-change and post-change distributions. Such an approach may not be feasible for various machine learning models because of the complexity of computing the explicit distributions. Additionally, these methods may suffer from a lack of robustness to model mismatch and noise. This paper develops a new variant of the classical Cumulative Sum (CUSUM) algorithm for the quickest change detection. This variant is based on Fisher divergence and the Hyv\"arinen score and is called the Score-based CUSUM (SCUSUM) algorithm. The SCUSUM algorithm allows the applications of change detection for unnormalized statistical models, i.e., models for which the probability density function contains an unknown normalization constant. The asymptotic optimality of the proposed algorithm is investigated by deriving expressions for average detection delay and the mean running time to a false alarm. Numerical results are provided to demonstrate the performance of the proposed algorithm.

Cutting planes (cuts) are important for solving mixed-integer linear programs (MILPs), which formulate a wide range of important real-world applications. Cut selection -- which aims to select a proper subset of the candidate cuts to improve the efficiency of solving MILPs -- heavily depends on (P1) which cuts should be preferred, and (P2) how many cuts should be selected. Although many modern MILP solvers tackle (P1)-(P2) by manually designed heuristics, machine learning offers a promising approach to learn more effective heuristics from MILPs collected from specific applications. However, many existing learning-based methods focus on learning which cuts should be preferred, neglecting the importance of learning the number of cuts that should be selected. Moreover, we observe from extensive empirical results that (P3) what order of selected cuts should be preferred has a significant impact on the efficiency of solving MILPs as well. To address this challenge, we propose a novel hierarchical sequence model (HEM) to learn cut selection policies via reinforcement learning. Specifically, HEM consists of a two-level model: (1) a higher-level model to learn the number of cuts that should be selected, (2) and a lower-level model -- that formulates the cut selection task as a sequence to sequence learning problem -- to learn policies selecting an ordered subset with the size determined by the higher-level model. To the best of our knowledge, HEM is the first method that can tackle (P1)-(P3) in cut selection simultaneously from a data-driven perspective. Experiments show that HEM significantly improves the efficiency of solving MILPs compared to human-designed and learning-based baselines on both synthetic and large-scale real-world MILPs, including MIPLIB 2017. Moreover, experiments demonstrate that HEM well generalizes to MILPs that are significantly larger than those seen during training.

In this work, we aim to confirm the impact of the Fourier series on the quantum machine learning model. We will propose models, tests, and demonstrations to achieve this objective. We designed a quantum machine learning leveraged on the Hamiltonian encoding. With a subtle change, we performed the trigonometric interpolation, binary and multiclass classifier, and a quantum signal processing application. We also proposed a block diagram of determining approximately the Fourier coefficient based on quantum machine learning. We performed and tested all the proposed models using the Pennylane framework.

A fundamental problem in manifold learning is to approximate a functional relationship in a data chosen randomly from a probability distribution supported on a low dimensional sub-manifold of a high dimensional ambient Euclidean space. The manifold is essentially defined by the data set itself and, typically, designed so that the data is dense on the manifold in some sense. The notion of a data space is an abstraction of a manifold encapsulating the essential properties that allow for function approximation. The problem of transfer learning (meta-learning) is to use the learning of a function on one data set to learn a similar function on a new data set. In terms of function approximation, this means lifting a function on one data space (the base data space) to another (the target data space). This viewpoint enables us to connect some inverse problems in applied mathematics (such as inverse Radon transform) with transfer learning. In this paper we examine the question of such lifting when the data is assumed to be known only on a part of the base data space. We are interested in determining subsets of the target data space on which the lifting can be defined, and how the local smoothness of the function and its lifting are related.

In this work, we study a natural nonparametric estimator of the transition probability matrices of a finite controlled Markov chain. We consider an offline setting with a fixed dataset, collected using a so-called logging policy. We develop sample complexity bounds for the estimator and establish conditions for minimaxity. Our statistical bounds depend on the logging policy through its mixing properties. We show that achieving a particular statistical risk bound involves a subtle and interesting trade-off between the strength of the mixing properties and the number of samples. We demonstrate the validity of our results under various examples, such as ergodic Markov chains, weakly ergodic inhomogeneous Markov chains, and controlled Markov chains with non-stationary Markov, episodic, and greedy controls. Lastly, we use these sample complexity bounds to establish concomitant ones for offline evaluation of stationary Markov control policies.

The quality and richness of feature maps extracted by convolution neural networks (CNNs) and vision Transformers (ViTs) directly relate to the robust model performance. In medical computer vision, these information-rich features are crucial for detecting rare cases within large datasets. This work presents the "Scopeformer," a novel multi-CNN-ViT model for intracranial hemorrhage classification in computed tomography (CT) images. The Scopeformer architecture is scalable and modular, which allows utilizing various CNN architectures as the backbone with diversified output features and pre-training strategies. We propose effective feature projection methods to reduce redundancies among CNN-generated features and to control the input size of ViTs. Extensive experiments with various Scopeformer models show that the model performance is proportional to the number of convolutional blocks employed in the feature extractor. Using multiple strategies, including diversifying the pre-training paradigms for CNNs, different pre-training datasets, and style transfer techniques, we demonstrate an overall improvement in the model performance at various computational budgets. Later, we propose smaller compute-efficient Scopeformer versions with three different types of input and output ViT configurations. Efficient Scopeformers use four different pre-trained CNN architectures as feature extractors to increase feature richness. Our best Efficient Scopeformer model achieved an accuracy of 96.94\% and a weighted logarithmic loss of 0.083 with an eight times reduction in the number of trainable parameters compared to the base Scopeformer. Another version of the Efficient Scopeformer model further reduced the parameter space by almost 17 times with negligible performance reduction. Hybrid CNNs and ViTs might provide the desired feature richness for developing accurate medical computer vision models

We exploit analogies between first-order algorithms for constrained optimization and non-smooth dynamical systems to design a new class of accelerated first-order algorithms for constrained optimization. Unlike Frank-Wolfe or projected gradients, these algorithms avoid optimization over the entire feasible set at each iteration. We prove convergence to stationary points even in a nonconvex setting and we derive rates for the convex setting. An important property of these algorithms is that constraints are expressed in terms of velocities instead of positions, which naturally leads to sparse, local and convex approximations of the feasible set (even if the feasible set is nonconvex). Thus, the complexity tends to grow mildly in the number of decision variables and in the number of constraints, which makes the algorithms suitable for machine learning applications. We apply our algorithms to a compressed sensing and a sparse regression problem, showing that we can treat nonconvex $\ell^p$ constraints ($p<1$) efficiently, while recovering state-of-the-art performance for $p=1$.

With the recent advances in technology, a wide range of systems continues to collect a large amount of data over time and thus generating time series. Detecting anomalies in time series data is an important task in various applications such as e-commerce, cybersecurity, and health care monitoring. However, Time-series Anomaly Detection (TSAD) is very challenging as it requires considering both the temporal dependency and the structural dependency. Recent graph-based approaches have made impressive progress in tackling the challenges of this field. In this survey, we conduct a comprehensive and up-to-date review of Graph-based Time-series Anomaly Detection (G-TSAD). First, we explore the significant potential of graph-based methods in identifying different types of anomalies in time series data. Then, we provide a structured and comprehensive review of the state-of-the-art graph anomaly detection techniques in the context of time series. Finally, we discuss the technical challenges and potential future directions for possible improvements in this research field.

Graph Neural Networks (GNNs) are currently dominating in modeling graph-structure data, while their high reliance on graph structure for inference significantly impedes them from widespread applications. By contrast, Graph-regularized MLPs (GR-MLPs) implicitly inject the graph structure information into model weights, while their performance can hardly match that of GNNs in most tasks. This motivates us to study the causes of the limited performance of GR-MLPs. In this paper, we first demonstrate that node embeddings learned from conventional GR-MLPs suffer from dimensional collapse, a phenomenon in which the largest a few eigenvalues dominate the embedding space, through empirical observations and theoretical analysis. As a result, the expressive power of the learned node representations is constrained. We further propose OrthoReg, a novel GR-MLP model to mitigate the dimensional collapse issue. Through a soft regularization loss on the correlation matrix of node embeddings, OrthoReg explicitly encourages orthogonal node representations and thus can naturally avoid dimensionally collapsed representations. Experiments on traditional transductive semi-supervised classification tasks and inductive node classification for cold-start scenarios demonstrate its effectiveness and superiority.

Vehicles are complex Cyber Physical Systems (CPS) that operate in a variety of environments, and the likelihood of failure of one or more subsystems, such as the engine, transmission, brakes, and fuel, can result in unscheduled downtime and incur high maintenance or repair costs. In order to prevent these issues, it is crucial to continuously monitor the health of various subsystems and identify abnormal sensor channel behavior. Data-driven Digital Twin (DT) systems are capable of such a task. Current DT technologies utilize various Deep Learning (DL) techniques that are constrained by the lack of justification or explanation for their predictions. This inability of these opaque systems can influence decision-making and raises user trust concerns. This paper presents a solution to this issue, where the TwinExplainer system, with its three-layered architectural pipeline, explains the predictions of an automotive DT. Such a system can assist automotive stakeholders in understanding the global scale of the sensor channels and how they contribute towards generic DT predictions. TwinExplainer can also visualize explanations for both normal and abnormal local predictions computed by the DT.

We develop a novel computational framework to approximate solution operators of evolution partial differential equations (PDEs). By employing a general nonlinear reduced-order model, such as a deep neural network, to approximate the solution of a given PDE, we realize that the evolution of the model parameter is a control problem in the parameter space. Based on this observation, we propose to approximate the solution operator of the PDE by learning the control vector field in the parameter space. From any initial value, this control field can steer the parameter to generate a trajectory such that the corresponding reduced-order model solves the PDE. This allows for substantially reduced computational cost to solve the evolution PDE with arbitrary initial conditions. We also develop comprehensive error analysis for the proposed method when solving a large class of semilinear parabolic PDEs. Numerical experiments on different high-dimensional evolution PDEs with various initial conditions demonstrate the promising results of the proposed method.

One of the most important agricultural products in Mexico is the tomato (Solanum lycopersicum), which occupies the 4th place national most produced product . Therefore, it is necessary to improve its production, building automatic detection system that detect, classify an keep tacks of the fruits is one way to archieve it. So, in this paper, we address the design of a computer vision system to detect tomatoes at different ripening stages. To solve the problem, we use a neural network-based model for tomato classification and detection. Specifically, we use the YOLOv3-tiny model because it is one of the lightest current deep neural networks. To train it, we perform two grid searches testing several combinations of hyperparameters. Our experiments showed an f1-score of 90.0% in the localization and classification of ripening stages in a custom dataset.

Forward invariance is a long-studied property in control theory that is used to certify that a dynamical system stays within some pre-specified set of states for all time, and also admits robustness guarantees (e.g., the certificate holds under perturbations). We propose a general framework for training and provably certifying robust forward invariance in Neural ODEs. We apply this framework in two settings: certified adversarial robustness for image classification, and certified safety in continuous control. Notably, our method empirically produces superior adversarial robustness guarantees compared to prior work on certifiably robust Neural ODEs (including implicit-depth models).

Diffusion models generate samples by reversing a fixed forward diffusion process. Despite already providing impressive empirical results, these diffusion models algorithms can be further improved by reducing the variance of the training targets in their denoising score-matching objective. We argue that the source of such variance lies in the handling of intermediate noise-variance scales, where multiple modes in the data affect the direction of reverse paths. We propose to remedy the problem by incorporating a reference batch which we use to calculate weighted conditional scores as more stable training targets. We show that the procedure indeed helps in the challenging intermediate regime by reducing (the trace of) the covariance of training targets. The new stable targets can be seen as trading bias for reduced variance, where the bias vanishes with increasing reference batch size. Empirically, we show that the new objective improves the image quality, stability, and training speed of various popular diffusion models across datasets with both general ODE and SDE solvers. When used in combination with EDM, our method yields a current SOTA FID of 1.90 with 35 network evaluations on the unconditional CIFAR-10 generation task. The code is available at https://github.com/Newbeeer/stf

Molecular systems often remain trapped for long times around some local minimum of the potential energy function, before switching to another one -- a behavior known as metastability. Simulating transition paths linking one metastable state to another one is difficult by direct numerical methods. In view of the promises of machine learning techniques, we explore in this work two approaches to more efficiently generate transition paths: sampling methods based on generative models such as variational autoencoders, and importance sampling methods based on reinforcement learning.

Modeling the joint distribution of high-dimensional data is a central task in unsupervised machine learning. In recent years, many interests have been attracted to developing learning models based on tensor networks, which have the advantages of a principle understanding of the expressive power using entanglement properties, and as a bridge connecting classical computation and quantum computation. Despite the great potential, however, existing tensor network models for unsupervised machine learning only work as a proof of principle, as their performance is much worse than the standard models such as restricted Boltzmann machines and neural networks. In this Letter, we present autoregressive matrix product states (AMPS), a tensor network model combining matrix product states from quantum many-body physics and autoregressive modeling from machine learning. Our model enjoys the exact calculation of normalized probability and unbiased sampling. We demonstrate the performance of our model using two applications, generative modeling on synthetic and real-world data, and reinforcement learning in statistical physics. Using extensive numerical experiments, we show that the proposed model significantly outperforms the existing tensor network models and the restricted Boltzmann machines, and is competitive with state-of-the-art neural network models.

Recent semi-supervised learning algorithms have demonstrated greater success with higher overall performance due to better-unlabeled data representations. Nonetheless, recent research suggests that the performance of the SSL algorithm can be degraded when the unlabeled set contains out-of-distribution examples (OODs). This work addresses the following question: How do out-of-distribution (OOD) data adversely affect semi-supervised learning algorithms? To answer this question, we investigate the critical causes of OOD's negative effect on SSL algorithms. In particular, we found that 1) certain kinds of OOD data instances that are close to the decision boundary have a more significant impact on performance than those that are further away, and 2) Batch Normalization (BN), a popular module, may degrade rather than improve performance when the unlabeled set contains OODs. In this context, we developed a unified weighted robust SSL framework that can be easily extended to many existing SSL algorithms and improve their robustness against OODs. More specifically, we developed an efficient bi-level optimization algorithm that could accommodate high-order approximations of the objective and scale to multiple inner optimization steps to learn a massive number of weight parameters while outperforming existing low-order approximations of bi-level optimization. Further, we conduct a theoretical study of the impact of faraway OODs in the BN step and propose a weighted batch normalization (WBN) procedure for improved performance. Finally, we discuss the connection between our approach and low-order approximation techniques. Our experiments on synthetic and real-world datasets demonstrate that our proposed approach significantly enhances the robustness of four representative SSL algorithms against OODs compared to four state-of-the-art robust SSL strategies.

Estimating an individual's potential outcomes under counterfactual treatments is a challenging task for traditional causal inference and supervised learning approaches when the outcome is high-dimensional (e.g. gene expressions, impulse responses, human faces) and covariates are relatively limited. In this case, to construct one's outcome under a counterfactual treatment, it is crucial to leverage individual information contained in its observed factual outcome on top of the covariates. We propose a deep variational Bayesian framework that rigorously integrates two main sources of information for outcome construction under a counterfactual treatment: one source is the individual features embedded in the high-dimensional factual outcome; the other source is the response distribution of similar subjects (subjects with the same covariates) that factually received this treatment of interest.

We introduce an efficient optimization-based meta-learning technique for learning large-scale implicit neural representations (INRs). Our main idea is designing an online selection of context points, which can significantly reduce memory requirements for meta-learning in any established setting. By doing so, we expect additional memory savings which allows longer per-signal adaptation horizons (at a given memory budget), leading to better meta-initializations by reducing myopia and, more crucially, enabling learning on high-dimensional signals. To implement such context pruning, our technical novelty is three-fold. First, we propose a selection scheme that adaptively chooses a subset at each adaptation step based on the predictive error, leading to the modeling of the global structure of the signal in early steps and enabling the later steps to capture its high-frequency details. Second, we counteract any possible information loss from context pruning by minimizing the parameter distance to a bootstrapped target model trained on a full context set. Finally, we suggest using the full context set with a gradient scaling scheme at test-time. Our technique is model-agnostic, intuitive, and straightforward to implement, showing significant reconstruction improvements for a wide range of signals. Code is available at https://github.com/jihoontack/ECoP

This paper studies a parametric family of algorithmic fairness metrics, called generalized entropy, which originally has been used in public welfare and recently introduced to machine learning community. As a meaningful metric to evaluate algorithmic fairness, it requires that generalized entropy specify fairness requirements of a classification problem and the fairness requirements should be realized with small deviation by an algorithm. We investigate the role of generalized entropy as a design parameter for fair classification algorithm through a fair empirical risk minimization with a constraint specified in terms of generalized entropy. We theoretically and experimentally study learnability of the problem.

Anderson acceleration (AA) is a well-known method for accelerating the convergence of iterative algorithms, with applications in various fields including deep learning and optimization. Despite its popularity in these areas, the effectiveness of AA in classical machine learning classifiers has not been thoroughly studied. Tabular data, in particular, presents a unique challenge for deep learning models, and classical machine learning models are known to perform better in these scenarios. However, the convergence analysis of these models has received limited attention. To address this gap in research, we implement a support vector machine (SVM) classifier variant that incorporates AA to speed up convergence. We evaluate the performance of our SVM with and without Anderson acceleration on several datasets from the biology domain and demonstrate that the use of AA significantly improves convergence and reduces the training loss as the number of iterations increases. Our findings provide a promising perspective on the potential of Anderson acceleration in the training of simple machine learning classifiers and underscore the importance of further research in this area. By showing the effectiveness of AA in this setting, we aim to inspire more studies that explore the applications of AA in classical machine learning.

Off-policy learning is a framework for optimizing policies without deploying them, using data collected by another policy. In recommender systems, this is especially challenging due to the imbalance in logged data: some items are recommended and thus logged more frequently than others. This is further perpetuated when recommending a list of items, as the action space is combinatorial. To address this challenge, we study pessimistic off-policy optimization for learning to rank. The key idea is to compute lower confidence bounds on parameters of click models and then return the list with the highest pessimistic estimate of its value. This approach is computationally efficient and we analyze it. We study its Bayesian and frequentist variants, and overcome the limitation of unknown prior by incorporating empirical Bayes. To show the empirical effectiveness of our approach, we compare it to off-policy optimizers that use inverse propensity scores or neglect uncertainty. Our approach outperforms all baselines, is robust, and is also general.

Despite being studied extensively for a few decades, handwritten character recognition (HCR) is still considered a challenging learning problem in pattern recognition, and there is very limited research on script independent models. This is mainly because of similarity in structure of characters, different handwriting styles, noisy datasets, diversity of scripts, focus of the conventional research on handcrafted feature extraction techniques, and unavailability of public datasets and code-repositories to reproduce the results. On the other hand, deep learning has witnessed huge success in different areas of pattern recognition, including HCR, and provides an end-to-end learning. However, deep learning techniques are computationally expensive, need large amount of data for training and have been developed for specific scripts only. To address the above limitations, we have proposed a novel generic deep learning architecture for script independent handwritten character recognition, called HCR-Net. HCR-Net is based on a novel transfer learning approach for HCR, which partly utilizes feature extraction layers of a pre-trained network. Due to transfer learning and image-augmentation, HCR-Net provides faster and computationally efficient training, better performance and better generalizations, and can work with small datasets. HCR-Net is extensively evaluated on 40 publicly available datasets of Bangla, Punjabi, Hindi, English, Swedish, Urdu, Farsi, Tibetan, Kannada, Malayalam, Telugu, Marathi, Nepali and Arabic languages, and established 26 new benchmark results while performed close to the best results in the rest cases. HCR-Net showed performance improvements up to 11% against the existing results and achieved a fast convergence rate showing up to 99% of final performance in the very first epoch. HCR-Net significantly outperformed the state-of-the-art transfer learning techniques...

Forecasting future weather and climate is inherently difficult. Machine learning offers new approaches to increase the accuracy and computational efficiency of forecasts, but current methods are unable to accurately model uncertainty in high-dimensional predictions. Score-based diffusion models offer a new approach to modeling probability distributions over many dependent variables, and in this work, we demonstrate how they provide probabilistic forecasts of weather and climate variables at unprecedented resolution, speed, and accuracy. We apply the technique to day-ahead solar irradiance forecasts by generating many samples from a diffusion model trained to super-resolve coarse-resolution numerical weather predictions to high-resolution weather satellite observations.

Hyperparameter optimization is an important subfield of machine learning that focuses on tuning the hyperparameters of a chosen algorithm to achieve peak performance. Recently, there has been a stream of methods that tackle the issue of hyperparameter optimization, however, most of the methods do not exploit the scaling law property of learning curves. In this work, we propose Deep Power Laws (DPL), an ensemble of neural network models conditioned to yield predictions that follow a power-law scaling pattern. Our method dynamically decides which configurations to pause and train incrementally by making use of gray-box evaluations. We compare our method against 7 state-of-the-art competitors on 3 benchmarks related to tabular, image, and NLP datasets covering 57 diverse tasks. Our method achieves the best results across all benchmarks by obtaining the best any-time results compared to all competitors.

Language Models (LMs) have been shown to leak information about training data through sentence-level membership inference and reconstruction attacks. Understanding the risk of LMs leaking Personally Identifiable Information (PII) has received less attention, which can be attributed to the false assumption that dataset curation techniques such as scrubbing are sufficient to prevent PII leakage. Scrubbing techniques reduce but do not prevent the risk of PII leakage: in practice scrubbing is imperfect and must balance the trade-off between minimizing disclosure and preserving the utility of the dataset. On the other hand, it is unclear to which extent algorithmic defenses such as differential privacy, designed to guarantee sentence- or user-level privacy, prevent PII disclosure. In this work, we propose (i) a taxonomy of PII leakage in LMs, (ii) metrics to quantify PII leakage, and (iii) attacks showing that PII leakage is a threat in practice. Our taxonomy provides rigorous game-based definitions for PII leakage via black-box extraction, inference, and reconstruction attacks with only API access to an LM. We empirically evaluate attacks against GPT-2 models fine-tuned on three domains: case law, health care, and e-mails. Our main contributions are (i) novel attacks that can extract up to 10 times more PII sequences as existing attacks, (ii) showing that sentence-level differential privacy reduces the risk of PII disclosure but still leaks about 3% of PII sequences, and (iii) a subtle connection between record-level membership inference and PII reconstruction.

The ability to leverage shared behaviors between tasks is critical for sample-efficient multi-task reinforcement learning (MTRL). While prior methods have primarily explored parameter and data sharing, direct behavior-sharing has been limited to task families requiring similar behaviors. Our goal is to extend the efficacy of behavior-sharing to more general task families that could require a mix of shareable and conflicting behaviors. Our key insight is an agent's behavior across tasks can be used for mutually beneficial exploration. To this end, we propose a simple MTRL framework for identifying shareable behaviors over tasks and incorporating them to guide exploration. We empirically demonstrate how behavior sharing improves sample efficiency and final performance on manipulation and navigation MTRL tasks and is even complementary to parameter sharing. Result videos are available at https://sites.google.com/view/qmp-mtrl.

One way of introducing sparsity into deep networks is by attaching an external table of parameters that is sparsely looked up at different layers of the network. By storing the bulk of the parameters in the external table, one can increase the capacity of the model without necessarily increasing the inference time. Two crucial questions in this setting are then: what is the lookup function for accessing the table and how are the contents of the table consumed? Prominent methods for accessing the table include 1) using words/wordpieces token-ids as table indices, 2) LSH hashing the token vector in each layer into a table of buckets, and 3) learnable softmax style routing to a table entry. The ways to consume the contents include adding/concatenating to input representation, and using the contents as expert networks that specialize to different inputs. In this work, we conduct rigorous experimental evaluations of existing ideas and their combinations. We also introduce a new method, alternating updates, that enables access to an increased token dimension without increasing the computation time, and demonstrate its effectiveness in language modeling.

Fourier neural operators (FNOs) are a recently introduced neural network architecture for learning solution operators of partial differential equations (PDEs), which have been shown to perform significantly better than comparable deep learning approaches. Once trained, FNOs can achieve speed-ups of multiple orders of magnitude over conventional numerical PDE solvers. However, due to the high dimensionality of their input data and network weights, FNOs have so far only been applied to two-dimensional or small three-dimensional problems. To remove this limited problem-size barrier, we propose a model-parallel version of FNOs based on domain-decomposition of both the input data and network weights. We demonstrate that our model-parallel FNO is able to predict time-varying PDE solutions of over 2.6 billion variables on Perlmutter using up to 512 A100 GPUs and show an example of training a distributed FNO on the Azure cloud for simulating multiphase CO$_2$ dynamics in the Earth's subsurface.

We propose a simple approach which combines the strengths of probabilistic graphical models and deep learning architectures for solving the multi-label classification task, focusing specifically on image and video data. First, we show that the performance of previous approaches that combine Markov Random Fields with neural networks can be modestly improved by leveraging more powerful methods such as iterative join graph propagation, integer linear programming, and $\ell_1$ regularization-based structure learning. Then we propose a new modeling framework called deep dependency networks, which augments a dependency network, a model that is easy to train and learns more accurate dependencies but is limited to Gibbs sampling for inference, to the output layer of a neural network. We show that despite its simplicity, jointly learning this new architecture yields significant improvements in performance over the baseline neural network. In particular, our experimental evaluation on three video activity classification datasets: Charades, Textually Annotated Cooking Scenes (TACoS), and Wetlab, and three multi-label image classification datasets: MS-COCO, PASCAL VOC, and NUS-WIDE show that deep dependency networks are almost always superior to pure neural architectures that do not use dependency networks.

We investigate the problem of reducing mistake severity for fine-grained classification. Fine-grained classification can be challenging, mainly due to the requirement of knowledge or domain expertise for accurate annotation. However, humans are particularly adept at performing coarse classification as it requires relatively low levels of expertise. To this end, we present a novel approach for Post-Hoc Correction called Hierarchical Ensembles (HiE) that utilizes label hierarchy to improve the performance of fine-grained classification at test-time using the coarse-grained predictions. By only requiring the parents of leaf nodes, our method significantly reduces avg. mistake severity while improving top-1 accuracy on the iNaturalist-19 and tieredImageNet-H datasets, achieving a new state-of-the-art on both benchmarks. We also investigate the efficacy of our approach in the semi-supervised setting. Our approach brings notable gains in top-1 accuracy while significantly decreasing the severity of mistakes as training data decreases for the fine-grained classes. The simplicity and post-hoc nature of HiE render it practical to be used with any off-the-shelf trained model to improve its predictions further.

Despite the success of equivariant neural networks in scientific applications, they require knowing the symmetry group a priori. However, it may be difficult to know the right symmetry to use as an inductive bias in practice and enforcing the wrong symmetry could hurt the performance. In this paper, we propose a framework, LieGAN, to automatically discover equivariances from a dataset using a paradigm akin to generative adversarial training. Specifically, a generator learns a group of transformations applied to the data, which preserves the original distribution and fools the discriminator. LieGAN represents symmetry as interpretable Lie algebra basis and can discover various symmetries such as rotation group $\mathrm{SO}(n)$ and restricted Lorentz group $\mathrm{SO}(1,3)^+$ in trajectory prediction and top quark tagging tasks. The learned symmetry can also be readily used in several existing equivariant neural networks to improve accuracy and generalization in prediction.

Manipulated news online is a growing problem which necessitates the use of automated systems to curtail its spread. We argue that while misinformation and disinformation detection have been studied, there has been a lack of investment in the important open challenge of detecting harmful agendas in news articles; identifying harmful agendas is critical to flag news campaigns with the greatest potential for real world harm. Moreover, due to real concerns around censorship, harmful agenda detectors must be interpretable to be effective. In this work, we propose this new task and release a dataset, NewsAgendas, of annotated news articles for agenda identification. We show how interpretable systems can be effective on this task and demonstrate that they can perform comparably to black-box models.

A fundamental challenge for machine learning models is how to generalize learned models for out-of-distribution (OOD) data. Among various approaches, exploiting invariant features by Domain Adversarial Training (DAT) received widespread attention. Despite its success, we observe training instability from DAT, mostly due to over-confident domain discriminator and environment label noise. To address this issue, we proposed Environment Label Smoothing (ELS), which encourages the discriminator to output soft probability, which thus reduces the confidence of the discriminator and alleviates the impact of noisy environment labels. We demonstrate, both experimentally and theoretically, that ELS can improve training stability, local convergence, and robustness to noisy environment labels. By incorporating ELS with DAT methods, we are able to yield state-of-art results on a wide range of domain generalization/adaptation tasks, particularly when the environment labels are highly noisy.

We quantify the parameter stability of a spherical Gaussian Mixture Model (sGMM) under small perturbations in distribution space. Namely, we derive the first explicit bound to show that for a mixture of spherical Gaussian $P$ (sGMM) in a pre-defined model class, all other sGMM close to $P$ in this model class in total variation distance has a small parameter distance to $P$. Further, this upper bound only depends on $P$. The motivation for this work lies in providing guarantees for fitting Gaussian mixtures; with this aim in mind, all the constants involved are well defined and distribution free conditions for fitting mixtures of spherical Gaussians. Our results tighten considerably the existing computable bounds, and asymptotically match the known sharp thresholds for this problem.

Graph Neural Networks (GNNs) have attracted tremendous attention by demonstrating their capability to handle graph data. However, they are difficult to be deployed in resource-limited devices due to model sizes and scalability constraints imposed by the multi-hop data dependency. In addition, real-world graphs usually possess complex structural information and features. Therefore, to improve the applicability of GNNs and fully encode the complicated topological information, knowledge distillation on graphs (KDG) has been introduced to build a smaller yet effective model and exploit more knowledge from data, leading to model compression and performance improvement. Recently, KDG has achieved considerable progress with many studies proposed. In this survey, we systematically review these works. Specifically, we first introduce KDG challenges and bases, then categorize and summarize existing works of KDG by answering the following three questions: 1) what to distillate, 2) who to whom, and 3) how to distillate. Finally, we share our thoughts on future research directions.

The current dominant paradigm when building a machine learning model is to iterate over a dataset over and over until convergence. Such an approach is non-incremental, as it assumes access to all images of all categories at once. However, for many applications, non-incremental learning is unrealistic. To that end, researchers study incremental learning, where a learner is required to adapt to an incoming stream of data with a varying distribution while preventing forgetting of past knowledge. Significant progress has been made, however, the vast majority of works focus on the fully supervised setting, making these algorithms label-hungry thus limiting their real-life deployment. To that end, in this paper, we make the first attempt to survey recently growing interest in label-efficient incremental learning. We identify three subdivisions, namely semi-, few-shot- and self-supervised learning to reduce labeling efforts. Finally, we identify novel directions that can further enhance label-efficiency and improve incremental learning scalability. Project website: {https://github.com/kilickaya/label-efficient-il.

Tensor networks, which have been traditionally used to simulate many-body physics, have recently gained significant attention in the field of machine learning due to their powerful representation capabilities. In this work, we propose a density-based clustering algorithm inspired by tensor networks. We encode classical data into tensor network states on an extended Hilbert space and train the tensor network states to capture the features of the clusters. Here, we define density and related concepts in terms of fidelity, rather than using a classical distance measure. We evaluate the performance of our algorithm on six synthetic data sets, four real world data sets, and three commonly used computer vision data sets. The results demonstrate that our method provides state-of-the-art performance on several synthetic data sets and real world data sets, even when the number of clusters is unknown. Additionally, our algorithm performs competitively with state-of-the-art algorithms on the MNIST, USPS, and Fashion-MNIST image data sets. These findings reveal the great potential of tensor networks for machine learning applications.

This paper introduces the Hamilton-Jacobi-Bellman Proximal Policy Optimization (HJBPPO) algorithm into reinforcement learning. The Hamilton-Jacobi-Bellman (HJB) equation is used in control theory to evaluate the optimality of the value function. Our work combines the HJB equation with reinforcement learning in continuous state and action spaces to improve the training of the value network. We treat the value network as a Physics-Informed Neural Network (PINN) to solve for the HJB equation by computing its derivatives with respect to its inputs exactly. The Proximal Policy Optimization (PPO)-Clipped algorithm is improvised with this implementation as it uses a value network to compute the objective function for its policy network. The HJBPPO algorithm shows an improved performance compared to PPO on the MuJoCo environments.

In deep learning, often the training process finds an interpolator (a solution with 0 training loss), but the test loss is still low. This phenomenon, known as benign overfitting, is a major mystery that received a lot of recent attention. One common mechanism for benign overfitting is implicit regularization, where the training process leads to additional properties for the interpolator, often characterized by minimizing certain norms. However, even for a simple sparse linear regression problem $y = \beta^{*\top} x +\xi$ with sparse $\beta^*$, neither minimum $\ell_1$ or $\ell_2$ norm interpolator gives the optimal test loss. In this work, we give a different parametrization of the model which leads to a new implicit regularization effect that combines the benefit of $\ell_1$ and $\ell_2$ interpolators. We show that training our new model via gradient descent leads to an interpolator with near-optimal test loss. Our result is based on careful analysis of the training dynamics and provides another example of implicit regularization effect that goes beyond norm minimization.

The Boolean Satisfiability (SAT) problem stands out as an attractive NP-complete problem in theoretic computer science and plays a central role in a broad spectrum of computing-related applications. Exploiting and tuning SAT solvers under numerous scenarios require massive high-quality industry-level SAT instances, which unfortunately are quite limited in the real world. To address the data insufficiency issue, in this paper, we propose W2SAT, a framework to generate SAT formulas by learning intrinsic structures and properties from given real-world/industrial instances in an implicit fashion. To this end, we introduce a novel SAT representation called Weighted Literal Incidence Graph (WLIG), which exhibits strong representation ability and generalizability against existing counterparts, and can be efficiently generated via a specialized learning-based graph generative model. Decoding from WLIGs into SAT problems is then modeled as finding overlapping cliques with a novel hill-climbing optimization method termed Optimal Weight Coverage (OWC). Experiments demonstrate the superiority of our WLIG-induced approach in terms of graph metrics, efficiency, and scalability in comparison to previous methods. Additionally, we discuss the limitations of graph-based SAT generation for real-world applications, especially when utilizing generated instances for SAT solver parameter-tuning, and pose some potential directions.

Large transformers are powerful architectures for self-supervised analysis of data of various nature, ranging from protein sequences to text to images. In these models, the data representation in the hidden layers live in the same space, and the semantic structure of the dataset emerges by a sequence of functionally identical transformations between one representation and the next. We here characterize the geometric and statistical properties of these representations, focusing on the evolution of such proprieties across the layers. By analyzing geometric properties such as the intrinsic dimension (ID) and the neighbor composition we find that the representations evolve in a strikingly similar manner in transformers trained on protein language tasks and image reconstruction tasks. In the first layers, the data manifold expands, becoming high-dimensional, and then it contracts significantly in the intermediate layers. In the last part of the model, the ID remains approximately constant or forms a second shallow peak. We show that the semantic complexity of the dataset emerges at the end of the first peak. This phenomenon can be observed across many models trained on diverse datasets. Based on these observations, we suggest using the ID profile as an unsupervised proxy to identify the layers which are more suitable for downstream learning tasks.

Deep learning (DL) is revolutionizing the scientific computing community. To reduce the data gap caused by usually expensive simulations or experimentation, active learning has been identified as a promising solution for the scientific computing community. However, the deep active learning (DAL) literature is currently dominated by image classification problems and pool-based methods, which are not directly transferrable to scientific computing problems, dominated by regression problems with no pre-defined 'pool' of unlabeled data. Here for the first time, we investigate the robustness of DAL methods for scientific computing problems using ten state-of-the-art DAL methods and eight benchmark problems. We show that, to our surprise, the majority of the DAL methods are not robust even compared to random sampling when the ideal pool size is unknown. We further analyze the effectiveness and robustness of DAL methods and suggest that diversity is necessary for a robust DAL for scientific computing problems.

In the last few years, artistic image-making with deep learning models has gained a considerable amount of traction. A large number of these models operate directly in the pixel space and generate raster images. This is however not how most humans would produce artworks, for example, by planning a sequence of shapes and strokes to draw. Recent developments in deep learning methods help to bridge the gap between stroke-based paintings and pixel photo generation. With this survey, we aim to provide a structured introduction and understanding of common challenges and approaches in stroke-based rendering algorithms. These algorithms range from simple rule-based heuristics to stroke optimization and deep reinforcement agents, trained to paint images with differentiable vector graphics and neural rendering.

The scarcity of labeled data is a long-standing challenge for many machine learning tasks. We propose our gradient flow method to leverage the existing dataset (i.e., source) to generate new samples that are close to the dataset of interest (i.e., target). We lift both datasets to the space of probability distributions on the feature-Gaussian manifold, and then develop a gradient flow method that minimizes the maximum mean discrepancy loss. To perform the gradient flow of distributions on the curved feature-Gaussian space, we unravel the Riemannian structure of the space and compute explicitly the Riemannian gradient of the loss function induced by the optimal transport metric. For practical applications, we also propose a discretized flow, and provide conditional results guaranteeing the global convergence of the flow to the optimum. We illustrate the results of our proposed gradient flow method on several real-world datasets and show our method can improve the accuracy of classification models in transfer learning settings.

The ability to accurately predict the opponent's behavior is central to the safety and efficiency of robotic systems in interactive settings, such as human-robot interaction and multi-robot teaming tasks. Unfortunately, robots often lack access to key information on which these predictions may hinge, such as opponent's goals, attention, and willingness to cooperate. Dual control theory addresses this challenge by treating unknown parameters of a predictive model as hidden states and inferring their values at runtime using information gathered during system operation. While able to optimally and automatically trade off exploration and exploitation, dual control is computationally intractable for general interactive motion planning. In this paper, we present a novel algorithmic approach to enable active uncertainty reduction for interactive motion planning based on the implicit dual control paradigm. Our approach relies on sampling-based approximation of stochastic dynamic programming, leading to a model predictive control problem. The resulting policy is shown to preserve the dual control effect for a broad class of predictive models with both continuous and categorical uncertainty. To ensure the safe operation of the interacting agents, we leverage a supervisory control scheme, oftentimes referred to as ``shielding'', which overrides the ego agent's dual control policy with a safety fallback strategy when a safety-critical event is imminent. We then augment the dual control framework with an improved variant of the recently proposed shielding-aware robust planning scheme, which proactively balances the nominal planning performance with the risk of high-cost emergency maneuvers triggered by low-probability opponent's behaviors. We demonstrate the efficacy of our approach with both simulated driving examples and hardware experiments using 1/10 scale autonomous vehicles.

This letter presents a continuous probabilistic modeling methodology for spatial point cloud data using finite Gaussian Mixture Models (GMMs) where the number of components are adapted based on the scene complexity. Few hierarchical and adaptive methods have been proposed to address the challenge of balancing model fidelity with size. Instead, state-of-the-art mapping approaches require tuning parameters for specific use cases, but do not generalize across diverse environments. To address this gap, we utilize a self-organizing principle from information-theoretic learning to automatically adapt the complexity of the GMM model based on the relevant information in the sensor data. The approach is evaluated against existing point cloud modeling techniques on real-world data with varying degrees of scene complexity.

Machine learning models have been shown to inherit biases from their training datasets, which can be particularly problematic for vision-language foundation models trained on uncurated datasets scraped from the internet. The biases can be amplified and propagated to downstream applications like zero-shot classifiers and text-to-image generative models. In this study, we propose a general approach for debiasing vision-language foundation models by projecting out biased directions in the text embedding. In particular, we show that debiasing only the text embedding with a calibrated projection matrix suffices to yield robust classifiers and fair generative models. The closed-form solution enables easy integration into large-scale pipelines, and empirical results demonstrate that our approach effectively reduces social bias and spurious correlation in both discriminative and generative vision-language models without the need for additional data or training.

We study the problem of online learning and online regret minimization when samples are drawn from a general unknown non-stationary process. We introduce the concept of a dynamic changing process with cost $K$, where the conditional marginals of the process can vary arbitrarily, but that the number of different conditional marginals is bounded by $K$ over $T$ rounds. For such processes we prove a tight (upto $\sqrt{\log T}$ factor) bound $O(\sqrt{KT\cdot\mathsf{VC}(\mathcal{H})\log T})$ for the expected worst case regret of any finite VC-dimensional class $\mathcal{H}$ under absolute loss (i.e., the expected miss-classification loss). We then improve this bound for general mixable losses, by establishing a tight (up to $\log^3 T$ factor) regret bound $O(K\cdot\mathsf{VC}(\mathcal{H})\log^3 T)$. We extend these results to general smooth adversary processes with unknown reference measure by showing a sub-linear regret bound for $1$-dimensional threshold functions under a general bounded convex loss. Our results can be viewed as a first step towards regret analysis with non-stationary samples in the distribution blind (universal) regime. This also brings a new viewpoint that shifts the study of complexity of the hypothesis classes to the study of the complexity of processes generating data.

Machine Learning as a service (MLaaS) permits resource-limited clients to access powerful data analytics services ubiquitously. Despite its merits, MLaaS poses significant concerns regarding the integrity of delegated computation and the privacy of the server's model parameters. To address this issue, Zhang et al. (CCS'20) initiated the study of zero-knowledge Machine Learning (zkML). Few zkML schemes have been proposed afterward; however, they focus on sole ML classification algorithms that may not offer satisfactory accuracy or require large-scale training data and model parameters, which may not be desirable for some applications. We propose ezDPS, a new efficient and zero-knowledge ML inference scheme. Unlike prior works, ezDPS is a zkML pipeline in which the data is processed in multiple stages for high accuracy. Each stage of ezDPS is harnessed with an established ML algorithm that is shown to be effective in various applications, including Discrete Wavelet Transformation, Principal Components Analysis, and Support Vector Machine. We design new gadgets to prove ML operations effectively. We fully implemented ezDPS and assessed its performance on real datasets. Experimental results showed that ezDPS achieves one-to-three orders of magnitude more efficient than the generic circuit-based approach in all metrics while maintaining more desirable accuracy than single ML classification approaches.

Federated learning (FL) has emerged as a promising paradigm that trains machine learning (ML) models on clients' devices in a distributed manner without the need of transmitting clients' data to the FL server. In many applications of ML, the labels of training data need to be generated manually by human agents. In this paper, we study FL with crowdsourced data labeling where the local data of each participating client of FL are labeled manually by the client. We consider the strategic behavior of clients who may not make desired effort in their local data labeling and local model computation and may misreport their local models to the FL server. We characterize the performance bounds on the training loss as a function of clients' data labeling effort, local computation effort, and reported local models. We devise truthful incentive mechanisms which incentivize strategic clients to make truthful efforts and report true local models to the server. The truthful design exploits the non-trivial dependence of the training loss on clients' efforts and local models. Under the truthful mechanisms, we characterize the server's optimal local computation effort assignments. We evaluate the proposed FL algorithms with crowdsourced data labeling and the incentive mechanisms using experiments.

In this paper, we introduce the ADAPT library, an open source Python API providing the implementation of the main transfer learning and domain adaptation methods. The library is designed with a user friendly approach to facilitate the access to domain adaptation for a wide public. ADAPT is compatible with scikit-learn and TensorFlow and a full documentation is proposed online https://adapt-python.github.io/adapt/ with a substantial gallery of examples.

The increasing use of machine learning in high-stakes domains -- where people's livelihoods are impacted -- creates an urgent need for interpretable, fair, and highly accurate algorithms. With these needs in mind, we propose a mixed integer optimization (MIO) framework for learning optimal classification trees -- one of the most interpretable models -- that can be augmented with arbitrary fairness constraints. In order to better quantify the "price of interpretability", we also propose a new measure of model interpretability called decision complexity that allows for comparisons across different classes of machine learning models. We benchmark our method against state-of-the-art approaches for fair classification on popular datasets; in doing so, we conduct one of the first comprehensive analyses of the trade-offs between interpretability, fairness, and predictive accuracy. Given a fixed disparity threshold, our method has a price of interpretability of about 4.2 percentage points in terms of out-of-sample accuracy compared to the best performing, complex models. However, our method consistently finds decisions with almost full parity, while other methods rarely do.

The current deep learning model is of a single-grade, that is, it learns a deep neural network by solving a single nonconvex optimization problem. When the layer number of the neural network is large, it is computationally challenging to carry out such a task efficiently. Inspired by the human education process which arranges learning in grades, we propose a multi-grade learning model: We successively solve a number of optimization problems of small sizes, which are organized in grades, to learn a shallow neural network for each grade. Specifically, the current grade is to learn the leftover from the previous grade. In each of the grades, we learn a shallow neural network stacked on the top of the neural network, learned in the previous grades, which remains unchanged in training of the current and future grades. By dividing the task of learning a deep neural network into learning several shallow neural networks, one can alleviate the severity of the nonconvexity of the original optimization problem of a large size. When all grades of the learning are completed, the final neural network learned is a stair-shape neural network, which is the superposition of networks learned from all grades. Such a model enables us to learn a deep neural network much more effectively and efficiently. Moreover, multi-grade learning naturally leads to adaptive learning. We prove that in the context of function approximation if the neural network generated by a new grade is nontrivial, the optimal error of the grade is strictly reduced from the optimal error of the previous grade. Furthermore, we provide several proof-of-concept numerical examples which demonstrate that the proposed multi-grade model outperforms significantly the traditional single-grade model and is much more robust than the traditional model.

We propose a federated learning (FL) in stratosphere (FLSTRA) system, where a high altitude platform station (HAPS) felicitates a large number of terrestrial clients to collaboratively learn a global model without sharing the training data. FLSTRA overcomes the challenges faced by FL in terrestrial networks, such as slow convergence and high communication delay due to limited client participation and multi-hop communications. HAPS leverages its altitude and size to allow the participation of more clients with line-of-sight (LoS) links and the placement of a powerful server. However, handling many clients at once introduces computing and transmission delays. Thus, we aim to obtain a delay-accuracy trade-off for FLSTRA. Specifically, we first develop a joint client selection and resource allocation algorithm for uplink and downlink to minimize the FL delay subject to the energy and quality-of-service (QoS) constraints. Second, we propose a communication and computation resource-aware (CCRA-FL) algorithm to achieve the target FL accuracy while deriving an upper bound for its convergence rate. The formulated problem is non-convex; thus, we propose an iterative algorithm to solve it. Simulation results demonstrate the effectiveness of the proposed FLSTRA system, compared to terrestrial benchmarks, in terms of FL delay and accuracy.

In this paper, we introduce Jointist, an instrument-aware multi-instrument framework that is capable of transcribing, recognizing, and separating multiple musical instruments from an audio clip. Jointist consists of an instrument recognition module that conditions the other two modules: a transcription module that outputs instrument-specific piano rolls, and a source separation module that utilizes instrument information and transcription results. The joint training of the transcription and source separation modules serves to improve the performance of both tasks. The instrument module is optional and can be directly controlled by human users. This makes Jointist a flexible user-controllable framework. Our challenging problem formulation makes the model highly useful in the real world given that modern popular music typically consists of multiple instruments. Its novelty, however, necessitates a new perspective on how to evaluate such a model. In our experiments, we assess the proposed model from various aspects, providing a new evaluation perspective for multi-instrument transcription. Our subjective listening study shows that Jointist achieves state-of-the-art performance on popular music, outperforming existing multi-instrument transcription models such as MT3. %We also argue that transcription models can be used as a preprocessing module for other music analysis tasks. We conducted experiments on several downstream tasks and found that the proposed method improved transcription by more than 1 percentage points (ppt.), source separation by 5 SDR, downbeat detection by 1.8 ppt., chord recognition by 1.4 ppt., and key estimation by 1.4 ppt., when utilizing transcription results obtained from Jointist.

We introduce EPIC-SOUNDS, a large-scale dataset of audio annotations capturing temporal extents and class labels within the audio stream of the egocentric videos. We propose an annotation pipeline where annotators temporally label distinguishable audio segments and describe the action that could have caused this sound. We identify actions that can be discriminated purely from audio, through grouping these free-form descriptions of audio into classes. For actions that involve objects colliding, we collect human annotations of the materials of these objects (e.g. a glass object being placed on a wooden surface), which we verify from visual labels, discarding ambiguities. Overall, EPIC-SOUNDS includes 78.4k categorised segments of audible events and actions, distributed across 44 classes as well as 39.2k non-categorised segments. We train and evaluate two state-of-the-art audio recognition models on our dataset, highlighting the importance of audio-only labels and the limitations of current models to recognise actions that sound.

Transformers were originally proposed as a sequence-to-sequence model for text but have become vital for a wide range of modalities, including images, audio, video, and undirected graphs. However, transformers for directed graphs are a surprisingly underexplored topic, despite their applicability to ubiquitous domains including source code and logic circuits. In this work, we propose two direction- and structure-aware positional encodings for directed graphs: (1) the eigenvectors of the Magnetic Laplacian - a direction-aware generalization of the combinatorial Laplacian; (2) directional random walk encodings. Empirically, we show that the extra directionality information is useful in various downstream tasks, including correctness testing of sorting networks and source code understanding. Together with a data-flow-centric graph construction, our model outperforms the prior state of the art on the Open Graph Benchmark Code2 relatively by 14.7%.

Web-crawled datasets have enabled remarkable generalization capabilities in recent image-text models such as CLIP (Contrastive Language-Image pre-training) or Flamingo, but little is known about the dataset creation processes. In this work, we introduce a testbed of six publicly available data sources - YFCC, LAION, Conceptual Captions, WIT, RedCaps, Shutterstock - to investigate how pre-training distributions induce robustness in CLIP. We find that the performance of the pre-training data varies substantially across distribution shifts, with no single data source dominating. Moreover, we systematically study the interactions between these data sources and find that combining multiple sources does not necessarily yield better models, but rather dilutes the robustness of the best individual data source. We complement our empirical findings with theoretical insights from a simple setting, where combining the training data also results in diluted robustness. In addition, our theoretical model provides a candidate explanation for the success of the CLIP-based data filtering technique recently employed in the LAION dataset. Overall our results demonstrate that simply gathering a large amount of data from the web is not the most effective way to build a pre-training dataset for robust generalization, necessitating further study into dataset design. Code is available at https://github.com/mlfoundations/clip_quality_not_quantity.

The analysis of data stored in multiple sites has become more popular, raising new concerns about the security of data storage and communication. Federated learning, which does not require centralizing data, is a common approach to preventing heavy data transportation, securing valued data, and protecting personal information protection. Therefore, determining how to aggregate the information obtained from the analysis of data in separate local sites has become an important statistical issue. The commonly used averaging methods may not be suitable due to data nonhomogeneity and incomparable results among individual sites, and applying them may result in the loss of information obtained from the individual analyses. Using a sequential method in federated learning with distributed computing can facilitate the integration and accelerate the analysis process. We develop a data-driven method for efficiently and effectively aggregating valued information by analyzing local data without encountering potential issues such as information security and heavy transportation due to data communication. In addition, the proposed method can preserve the properties of classical sequential adaptive design, such as data-driven sample size and estimation precision when applied to generalized linear models. We use numerical studies of simulated data and an application to COVID-19 data collected from 32 hospitals in Mexico, to illustrate the proposed method.

Screening classifiers are increasingly used to identify qualified candidates in a variety of selection processes. In this context, it has been recently shown that, if a classifier is calibrated, one can identify the smallest set of candidates which contains, in expectation, a desired number of qualified candidates using a threshold decision rule. This lends support to focusing on calibration as the only requirement for screening classifiers. In this paper, we argue that screening policies that use calibrated classifiers may suffer from an understudied type of within-group discrimination -- they may discriminate against qualified members within demographic groups of interest. Further, we argue that this type of discrimination can be avoided if classifiers satisfy within-group monotonicity, a natural monotonicity property within each of the groups. Then, we introduce an efficient post-processing algorithm based on dynamic programming to minimally modify a given calibrated classifier so that its probability estimates satisfy within-group monotonicity. We validate our algorithm using US Census survey data and show that within-group monotonicity can be often achieved at a small cost in terms of prediction granularity and shortlist size.

Considerable advancements have been made in various NLP tasks based on the impressive power of large language models (LLMs) and many NLP applications are deployed in our daily lives. In this work, we challenge the capability of LLMs with the new task of Ethical Quandary Generative Question Answering. Ethical quandary questions are more challenging to address because multiple conflicting answers may exist to a single quandary. We explore the current capability of LLMs in providing an answer with a deliberative exchange of different perspectives to an ethical quandary, in the approach of Socratic philosophy, instead of providing a closed answer like an oracle. We propose a model that searches for different ethical principles applicable to the ethical quandary and generates an answer conditioned on the chosen principles through prompt-based few-shot learning. We also discuss the remaining challenges and ethical issues involved in this task and suggest the direction toward developing responsible NLP systems by incorporating human values explicitly.

Computational chemistry has become an important tool to predict and understand molecular properties and reactions. Even though recent years have seen a significant growth in new algorithms and computational methods that speed up quantum chemical calculations, the bottleneck for trajectory-based methods to study photoinduced processes is still the huge number of electronic structure calculations. In this work, we present an innovative solution, in which the amount of electronic structure calculations is drastically reduced, by employing machine learning algorithms and methods borrowed from the realm of artificial intelligence. However, applying these algorithms effectively requires finding optimal hyperparameters, which remains a challenge itself. Here we present an automated user-friendly framework, HOAX, to perform the hyperparameter optimization for neural networks, which bypasses the need for a lengthy manual process. The neural network generated potential energy surfaces (PESs) reduces the computational costs compared to the ab initio-based PESs. We perform a comparative investigation on the performance of different hyperparameter optimiziation algorithms, namely grid search, simulated annealing, genetic algorithm, and bayesian optimizer in finding the optimal hyperparameters necessary for constructing the well-performing neural network in order to fit the PESs of small organic molecules. Our results show that this automated toolkit not only facilitate a straightforward way to perform the hyperparameter optimization but also the resulting neural networks-based generated PESs are in reasonable agreement with the ab initio-based PESs.

Generative models have the ability to synthesize data points drawn from the data distribution, however, not all generated samples are high quality. In this paper, we propose using a combination of coresets selection methods and ``entropic regularization'' to select the highest fidelity samples. We leverage an Energy-Based Model which resembles a variational auto-encoder with an inference and generator model for which the latent prior is complexified by an energy-based model. In a semi-supervised learning scenario, we show that augmenting the labeled data-set, by adding our selected subset of samples, leads to better accuracy improvement rather than using all the synthetic samples.

Generative models can have distinct mode of failures like mode dropping and low quality samples, which cannot be captured by a single scalar metric. To address this, recent works propose evaluating generative models using precision and recall, where precision measures quality of samples and recall measures the coverage of the target distribution. Although a variety of discrepancy measures between the target and estimated distribution are used to train generative models, it is unclear what precision-recall trade-offs are achieved by various choices of the discrepancy measures. In this paper, we show that achieving a specified precision-recall trade-off corresponds to minimising -divergences from a family we call the {\em PR-divergences }. Conversely, any -divergence can be written as a linear combination of PR-divergences and therefore correspond to minimising a weighted precision-recall trade-off. Further, we propose a novel generative model that is able to train a normalizing flow to minimise any -divergence, and in particular, achieve a given precision-recall trade-off.

Hamiltonian Monte Carlo (HMC) is a powerful algorithm to sample latent variables from Bayesian models. The advent of probabilistic programming languages (PPLs) frees users from writing inference algorithms and lets users focus on modeling. However, many models are difficult for HMC to solve directly, which often require tricks like model reparameterization. We are motivated by the fact that many of those models could be simplified by marginalization. We propose to use automatic marginalization as part of the sampling process using HMC in a graphical model extracted from a PPL, which substantially improves sampling from real-world hierarchical models.

We propose a learning rate adaptation scheme, called QLAB, for descent optimizers. We derive QLAB by optimizing the quadratic approximation of the loss function and QLAB can be combined with any optimizer who can provide the descent update direction. The computation of an adaptive learning rate with QLAB requires only computing an extra loss function value. We theoretically prove the convergence of the descent optimizers with QLAB. We demonstrate the effectiveness of QLAB in a range of optimization problems by combining with conclusively stochastic gradient descent, stochastic gradient descent with momentum, and Adam. The performance is validated on multi-layer neural networks, CNN, VGG-Net, ResNet and ShuffleNet with two datasets, MNIST and CIFAR10.

Recent works have demonstrated that neural networks exhibit extreme simplicity bias(SB). That is, they learn only the simplest features to solve a task at hand, even in the presence of other, more robust but more complex features. Due to the lack of a general and rigorous definition of features, these works showcase SB on semi-synthetic datasets such as Color-MNIST, MNIST-CIFAR where defining features is relatively easier. In this work, we rigorously define as well as thoroughly establish SB for one hidden layer neural networks. More concretely, (i) we define SB as the network essentially being a function of a low dimensional projection of the inputs (ii) theoretically, we show that when the data is linearly separable, the network primarily depends on only the linearly separable ($1$-dimensional) subspace even in the presence of an arbitrarily large number of other, more complex features which could have led to a significantly more robust classifier, (iii) empirically, we show that models trained on real datasets such as Imagenette and Waterbirds-Landbirds indeed depend on a low dimensional projection of the inputs, thereby demonstrating SB on these datasets, iv) finally, we present a natural ensemble approach that encourages diversity in models by training successive models on features not used by earlier models, and demonstrate that it yields models that are significantly more robust to Gaussian noise.

Blind source separation (BSS) techniques have revealed to be promising approaches for, among other, biomedical signal processing applications. Specifically, for the noninvasive extraction of fetal cardiac signals from maternal abdominal recordings, where conventional filtering schemes have failed to extract the complete fetal ECG components. From previous studies, it is now believed that a carefully selected array of electrodes well-placed over the abdomen of a pregnant woman contains the required `information' for BSS, to extract the complete fetal components. Based on this idea, in previous works array recording systems and sensor selection strategies based on the Mutual Information (MI) criterion have been developed. In this paper the previous works have been extended, by considering the 3-dimensional aspects of the cardiac electrical activity. The proposed method has been tested on simulated and real maternal abdominal recordings. The results show that the new sensor selection strategy together with the MI criterion, can be effectively used to select the channels containing the most `information' concerning the fetal ECG components from an array of 72 recordings. The method is hence believed to be useful for the selection of the most informative channels in online applications, considering the different fetal positions and movements.

Hyperparameter optimization (HPO) is concerned with the automated search for the most appropriate hyperparameter configuration (HPC) of a parameterized machine learning algorithm. A state-of-the-art HPO method is Hyperband, which, however, has its own parameters that influence its performance. One of these parameters, the maximal budget, is especially problematic: If chosen too small, the budget needs to be increased in hindsight and, as Hyperband is not incremental by design, the entire algorithm must be re-run. This is not only costly but also comes with a loss of valuable knowledge already accumulated. In this paper, we propose incremental variants of Hyperband that eliminate these drawbacks, and show that these variants satisfy theoretical guarantees qualitatively similar to those for the original Hyperband with the "right" budget. Moreover, we demonstrate their practical utility in experiments with benchmark data sets.

Partial label learning (PLL) is a typical weakly supervised learning problem, where each training example is associated with a set of candidate labels among which only one is true. Most existing PLL approaches assume that the incorrect labels in each training example are randomly picked as the candidate labels and model the generation process of the candidate labels in a simple way. However, these approaches usually do not perform as well as expected due to the fact that the generation process of the candidate labels is always instance-dependent. Therefore, it deserves to be modeled in a refined way. In this paper, we consider instance-dependent PLL and assume that the generation process of the candidate labels could decompose into two sequential parts, where the correct label emerges first in the mind of the annotator but then the incorrect labels related to the feature are also selected with the correct label as candidate labels due to uncertainty of labeling. Motivated by this consideration, we propose a novel PLL method that performs Maximum A Posterior (MAP) based on an explicitly modeled generation process of candidate labels via decomposed probability distribution models. Extensive experiments on manually corrupted benchmark datasets and real-world datasets validate the effectiveness of the proposed method. Source code is available at https://github.com/palm-ml/idgp.

Spiking neural networks (SNNs) with event-based computation are promising brain-inspired models for energy-efficient applications on neuromorphic hardware. However, most supervised SNN training methods, such as conversion from artificial neural networks or direct training with surrogate gradients, require complex computation rather than spike-based operations of spiking neurons during training. In this paper, we study spike-based implicit differentiation on the equilibrium state (SPIDE) that extends the recently proposed training method, implicit differentiation on the equilibrium state (IDE), for supervised learning with purely spike-based computation, which demonstrates the potential for energy-efficient training of SNNs. Specifically, we introduce ternary spiking neuron couples and prove that implicit differentiation can be solved by spikes based on this design, so the whole training procedure, including both forward and backward passes, is made as event-driven spike computation, and weights are updated locally with two-stage average firing rates. Then we propose to modify the reset membrane potential to reduce the approximation error of spikes. With these key components, we can train SNNs with flexible structures in a small number of time steps and with firing sparsity during training, and the theoretical estimation of energy costs demonstrates the potential for high efficiency. Meanwhile, experiments show that even with these constraints, our trained models can still achieve competitive results on MNIST, CIFAR-10, CIFAR-100, and CIFAR10-DVS. Our code is available at https://github.com/pkuxmq/SPIDE-FSNN.

We propose a paradigm for interpretable Manifold Learning for scientific data analysis, whereby we parametrize a manifold with $d$ smooth functions from a scientist-provided dictionary of meaningful, domain-related functions. When such a parametrization exists, we provide an algorithm for finding it based on sparse non-linear regression in the manifold tangent bundle, bypassing more standard manifold learning algorithms. We also discuss conditions for the existence of such parameterizations in function space and for successful recovery from finite samples. We demonstrate our method with experimental results from a real scientific domain.

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the \textit{sequential predictive conformal inference} (\texttt{SPCI}). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to exploit the temporal dependence of non-conformity scores (e.g., prediction residuals); thus, the past residuals contain information about future ones. Then we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of \texttt{SPCI} compared to other existing methods under the desired empirical coverage.

Antibody design is an essential yet challenging task in various domains like therapeutics and biology. There are two major defects in current learning-based methods: 1) tackling only a certain subtask of the whole antibody design pipeline, making them suboptimal or resource-intensive. 2) omitting either the framework regions or side chains, thus incapable of capturing the full-atom geometry. To address these pitfalls, we propose dynamic Multi-channel Equivariant grAph Network (dyMEAN), an end-to-end full-atom model for E(3)-equivariant antibody design given the epitope and the incomplete sequence of the antibody. Specifically, we first explore structural initialization as a knowledgeable guess of the antibody structure and then propose shadow paratope to bridge the epitope-antibody connections. Both 1D sequences and 3D structures are updated via an adaptive multi-channel equivariant encoder that is able to process protein residues of variable sizes when considering full atoms. Finally, the updated antibody is docked to the epitope via the alignment of the shadow paratope. Experiments on epitope-binding CDR-H3 design, complex structure prediction, and affinity optimization demonstrate the superiority of our end-to-end framework and full-atom modeling.

The Hidden Markov Model (HMM) is one of the most widely used statistical models for sequential data analysis, and it has been successfully applied in a large variety of domains. One of the key reasons for this versatility is the ability of HMMs to deal with missing data. However, standard HMM learning algorithms rely crucially on the assumption that the positions of the missing observations within the observation sequence are known. In some situations where such assumptions are not feasible, a number of special algorithms have been developed. Currently, these algorithms rely strongly on specific structural assumptions of the underlying chain, such as acyclicity, and are not applicable in the general case. In particular, there are numerous domains within medicine and computational biology, where the missing observation locations are unknown and acyclicity assumptions do not hold, thus presenting a barrier for the application of HMMs in those fields. In this paper we consider a general problem of learning HMMs from data with unknown missing observation locations (i.e., only the order of the non-missing observations are known). We introduce a generative model of the location omissions and propose two learning methods for this model, a (semi) analytic approach, and a Gibbs sampler. We evaluate and compare the algorithms in a variety of scenarios, measuring their reconstruction precision and robustness under model misspecification.

We show that taking the width and depth to infinity in a deep neural network with skip connections, when branches are scaled by $1/\sqrt{depth}$ (the only nontrivial scaling), result in the same covariance structure no matter how that limit is taken. This explains why the standard infinite-width-then-depth approach provides practical insights even for networks with depth of the same order as width. We also demonstrate that the pre-activations, in this case, have Gaussian distributions which has direct applications in Bayesian deep learning. We conduct extensive simulations that show an excellent match with our theoretical findings.

With news and information being as easy to access as they currently are, it is more important than ever to ensure that people are not mislead by what they read. Recently, the rise of neural fake news (AI-generated fake news) and its demonstrated effectiveness at fooling humans has prompted the development of models to detect it. One such model is the Grover model, which can both detect neural fake news to prevent it, and generate it to demonstrate how a model could be misused to fool human readers. In this work we explore the Grover model's fake news detection capabilities by performing targeted attacks through perturbations on input news articles. Through this we test Grover's resilience to these adversarial attacks and expose some potential vulnerabilities which should be addressed in further iterations to ensure it can detect all types of fake news accurately.

The study of Neural Tangent Kernels (NTKs) has provided much needed insight into convergence and generalization properties of neural networks in the over-parametrized (wide) limit by approximating the network using a first-order Taylor expansion with respect to its weights in the neighborhood of their initialization values. This allows neural network training to be analyzed from the perspective of reproducing kernel Hilbert spaces (RKHS), which is informative in the over-parametrized regime, but a poor approximation for narrower networks as the weights change more during training. Our goal is to extend beyond the limits of NTK toward a more general theory. We construct an exact power-series representation of the neural network in a finite neighborhood of the initial weights as an inner product of two feature maps, respectively from data and weight-step space, to feature space, allowing neural network training to be analyzed from the perspective of reproducing kernel {\em Banach} space (RKBS). We prove that, regardless of width, the training sequence produced by gradient descent can be exactly replicated by regularized sequential learning in RKBS. Using this, we present novel bound on uniform convergence where the iterations count and learning rate play a central role, giving new theoretical insight into neural network training.

Designing molecular structures with desired chemical properties is an essential task in drug discovery and material design. However, finding molecules with the optimized desired properties is still a challenging task due to combinatorial explosion of candidate space of molecules. Here we propose a novel \emph{decomposition-and-reassembling} based approach, which does not include any optimization in hidden space and our generation process is highly interpretable. Our method is a two-step procedure: In the first decomposition step, we apply frequent subgraph mining to a molecular database to collect smaller size of subgraphs as building blocks of molecules. In the second reassembling step, we search desirable building blocks guided via reinforcement learning and combine them to generate new molecules. Our experiments show that not only can our method find better molecules in terms of two standard criteria, the penalized $\log P$ and drug-likeness, but also generate drug molecules with showing the valid intermediate molecules.

Multi-dimensional direct numerical simulation (DNS) of the Schr\"odinger equation is needed for design and analysis of quantum nanostructures that offer numerous applications in biology, medicine, materials, electronic/photonic devices, etc. In large-scale nanostructures, extensive computational effort needed in DNS may become prohibitive due to the high degrees of freedom (DoF). This study employs a reduced-order learning algorithm, enabled by the first principles, for simulation of the Schr\"odinger equation to achieve high accuracy and efficiency. The proposed simulation methodology is applied to investigate two quantum-dot structures; one operates under external electric field, and the other is influenced by internal potential variation with periodic boundary conditions. The former is similar to typical operations of nanoelectronic devices, and the latter is of interest to simulation and design of nanostructures and materials, such as applications of density functional theory. Using the proposed methodology, a very accurate prediction can be realized with a reduction in the DoF by more than 3 orders of magnitude and in the computational time by 2 orders, compared to DNS. The proposed physics-informed learning methodology is also able to offer an accurate prediction beyond the training conditions, including higher external field and larger internal potential in untrained quantum states.

Research in Machine Learning has polarized into two general regression approaches: Transductive methods derive estimates directly from available data but are usually problem unspecific. Inductive methods can be much more particular, but generally require tuning and compute-intensive searches for solutions. In this work, we adopt a hybrid approach: We leverage the theory of Reproducing Kernel Banach Spaces (RKBS) and show that transductive principles can be induced through gradient descent to form efficient \textit{in-context} neural approximators. We apply this approach to RKBS of function-valued operators and show that once trained, our \textit{Transducer} model can capture on-the-fly relationships between infinite-dimensional input and output functions, given a few example pairs, and return new function estimates. We demonstrate the benefit of our transductive approach to model complex physical systems influenced by varying external factors with little data at a fraction of the usual deep learning training computation cost for partial differential equations and climate modeling applications.

Diffusion-based image translation guided by semantic texts or a single target image has enabled flexible style transfer which is not limited to the specific domains. Unfortunately, due to the stochastic nature of diffusion models, it is often difficult to maintain the original content of the image during the reverse diffusion. To address this, here we present a novel diffusion-based unsupervised image translation method using disentangled style and content representation. Specifically, inspired by the splicing Vision Transformer, we extract intermediate keys of multihead self attention layer from ViT model and used them as the content preservation loss. Then, an image guided style transfer is performed by matching the [CLS] classification token from the denoised samples and target image, whereas additional CLIP loss is used for the text-driven style transfer. To further accelerate the semantic change during the reverse diffusion, we also propose a novel semantic divergence loss and resampling strategy. Our experimental results show that the proposed method outperforms state-of-the-art baseline models in both text-guided and image-guided translation tasks.

Noisy-OR Bayesian Networks (BNs) are a family of probabilistic graphical models which express rich statistical dependencies in binary data. Variational inference (VI) has been the main method proposed to learn noisy-OR BNs with complex latent structures (Jaakkola & Jordan, 1999; Ji et al., 2020; Buhai et al., 2020). However, the proposed VI approaches either (a) use a recognition network with standard amortized inference that cannot induce ``explaining-away''; or (b) assume a simple mean-field (MF) posterior which is vulnerable to bad local optima. Existing MF VI methods also update the MF parameters sequentially which makes them inherently slow. In this paper, we propose parallel max-product as an alternative algorithm for learning noisy-OR BNs with complex latent structures and we derive a fast stochastic training scheme that scales to large datasets. We evaluate both approaches on several benchmarks where VI is the state-of-the-art and show that our method (a) achieves better test performance than Ji et al. (2020) for learning noisy-OR BNs with hierarchical latent structures on large sparse real datasets; (b) recovers a higher number of ground truth parameters than Buhai et al. (2020) from cluttered synthetic scenes; and (c) solves the 2D blind deconvolution problem from Lazaro-Gredilla et al. (2021) and variant - including binary matrix factorization - while VI catastrophically fails and is up to two orders of magnitude slower.

We propose a novel supervised learning approach for political ideology prediction (PIP) that is capable of predicting out-of-distribution inputs. This problem is motivated by the fact that manual data-labeling is expensive, while self-reported labels are often scarce and exhibit significant selection bias. We propose a novel statistical model that decomposes the document embeddings into a linear superposition of two vectors; a latent neutral \emph{context} vector independent of ideology, and a latent \emph{position} vector aligned with ideology. We train an end-to-end model that has intermediate contextual and positional vectors as outputs. At deployment time, our model predicts labels for input documents by exclusively leveraging the predicted positional vectors. On two benchmark datasets we show that our model is capable of outputting predictions even when trained with as little as 5\% biased data, and is significantly more accurate than the state-of-the-art. Through crowd-sourcing we validate the neutrality of contextual vectors, and show that context filtering results in ideological concentration, allowing for prediction on out-of-distribution examples.

Predictive models -- as with machine learning -- can underpin causal inference, to estimate the effects of an intervention at the population or individual level. This opens the door to a plethora of models, useful to match the increasing complexity of health data, but also the Pandora box of model selection: which of these models yield the most valid causal estimates? Classic machine-learning cross-validation procedures are not directly applicable. Indeed, an appropriate selection procedure for causal inference should equally weight both outcome errors for each individual, treated or not treated, whereas one outcome may be seldom observed for a sub-population. We study how more elaborate risks benefit causal model selection. We show theoretically that simple risks are brittle to weak overlap between treated and non-treated individuals as well as to heterogeneous errors between populations. Rather a more elaborate metric, the R-risk appears as a proxy of the oracle error on causal estimates, observable at the cost of an overlap re-weighting. As the R-risk is defined not only from model predictions but also by using the conditional mean outcome and the treatment probability, using it for model selection requires adapting cross validation. Extensive experiments show that the resulting procedure gives the best causal model selection.

A number of learning models used in consequential domains, such as to assist in legal, banking, hiring, and healthcare decisions, make use of potentially sensitive users' information to carry out inference. Further, the complete set of features is typically required to perform inference. This not only poses severe privacy risks for the individuals using the learning systems, but also requires companies and organizations massive human efforts to verify the correctness of the released information. This paper asks whether it is necessary to require \emph{all} input features for a model to return accurate predictions at test time and shows that, under a personalized setting, each individual may need to release only a small subset of these features without impacting the final decisions. The paper also provides an efficient sequential algorithm that chooses which attributes should be provided by each individual. Evaluation over several learning tasks shows that individuals may be able to report as little as 10\% of their information to ensure the same level of accuracy of a model that uses the complete users' information.

Adversarial nets have proved to be powerful in various domains including generative modeling (GANs), transfer learning, and fairness. However, successfully training adversarial nets using first-order methods remains a major challenge. Typically, careful choices of the learning rates are needed to maintain the delicate balance between the competing networks. In this paper, we design a novel learning rate scheduler that dynamically adapts the learning rate of the adversary to maintain the right balance. The scheduler is driven by the fact that the loss of an ideal adversarial net is a constant known a priori. The scheduler is thus designed to keep the loss of the optimized adversarial net close to that of an ideal network. We run large-scale experiments to study the effectiveness of the scheduler on two popular applications: GANs for image generation and adversarial nets for domain adaptation. Our experiments indicate that adversarial nets trained with the scheduler are less likely to diverge and require significantly less tuning. For example, on CelebA, a GAN with the scheduler requires only one-tenth of the tuning budget needed without a scheduler. Moreover, the scheduler leads to statistically significant improvements in model quality, reaching up to $27\%$ in Frechet Inception Distance for image generation and $3\%$ in test accuracy for domain adaptation.

Intelligent biological systems are characterized by their embodiment in a complex environment and the intimate interplay between their nervous systems and the nonlinear mechanical properties of their bodies. This coordination, in which the dynamics of the motor system co-evolved to reduce the computational burden on the brain, is referred to as ``mechanical intelligence'' or ``morphological computation''. In this work, we seek to develop machine learning analogs of this process, in which we jointly learn the morphology of complex nonlinear elastic solids along with a deep neural network to control it. By using a specialized differentiable simulator of elastic mechanics coupled to conventional deep learning architectures -- which we refer to as neuromechanical autoencoders -- we are able to learn to perform morphological computation via gradient descent. Key to our approach is the use of mechanical metamaterials -- cellular solids, in particular -- as the morphological substrate. Just as deep neural networks provide flexible and massively-parametric function approximators for perceptual and control tasks, cellular solid metamaterials are promising as a rich and learnable space for approximating a variety of actuation tasks. In this work we take advantage of these complementary computational concepts to co-design materials and neural network controls to achieve nonintuitive mechanical behavior. We demonstrate in simulation how it is possible to achieve translation, rotation, and shape matching, as well as a ``digital MNIST'' task. We additionally manufacture and evaluate one of the designs to verify its real-world behavior.

The scholarly publication space is growing steadily not just in numbers but also in complexity due to collaboration between individuals from within and across fields of research. This paper presents a hierarchical classification system that automatically categorizes a scholarly publication using its abstract into a three-tier hierarchical label set of fields (discipline-field-subfield). This system enables a holistic view about the interdependence of research activities in the mentioned hierarchical tiers in terms of knowledge production through articles and impact through citations. The classification system (44 disciplines - 738 fields - 1,501 subfields) utilizes and is able to cope with 160 million abstract snippets in Microsoft Academic Graph (Version 2018-05-17) using batch training in a modularized and distributed fashion to address and assess interdisciplinarity and inter-field classifications. In addition, we have explored multi-class classifications in both the single-label and multi-label settings. In total, we have conducted 3,140 experiments, in all models (Convolutional Neural Networks, Recurrent Neural Networks, Transformers), the classification accuracy is > 90% in 77.84% and 78.83% of the single-label and multi-label classifications, respectively. We examine the advantages of our classification by its ability to better align research texts and output with disciplines, to adequately classify them in an automated way, as well as to capture the degree of interdisciplinarity in a publication which enables downstream analytics such as field interdisciplinarity. This system (a set of pretrained models) can serve as a backbone to an interactive system of indexing scientific publications.

In recent years, there is a lot of interest in modeling students' digital traces in Learning Management System (LMS) to understand students' learning behavior patterns including aspects of meta-cognition and self-regulation, with the ultimate goal to turn those insights into actionable information to support students to improve their learning outcomes. In achieving this goal, however, there are two main issues that need to be addressed given the existing literature. Firstly, most of the current work is course-centered (i.e. models are built from data for a specific course) rather than student-centered; secondly, a vast majority of the models are correlational rather than causal. Those issues make it challenging to identify the most promising actionable factors for intervention at the student level where most of the campus-wide academic support is designed for. In this paper, we explored a student-centric analytical framework for LMS activity data that can provide not only correlational but causal insights mined from observational data. We demonstrated this approach using a dataset of 1651 computing major students at a public university in the US during one semester in the Fall of 2019. This dataset includes students' fine-grained LMS interaction logs and administrative data, e.g. demographics and academic performance. In addition, we expand the repository of LMS behavior indicators to include those that can characterize the time-of-the-day of login (e.g. chronotype). Our analysis showed that student login volume, compared with other login behavior indicators, is both strongly correlated and causally linked to student academic performance, especially among students with low academic performance. We envision that those insights will provide convincing evidence for college student support groups to launch student-centered and targeted interventions that are effective and scalable.

Several moving target defenses (MTDs) to counter adversarial ML attacks have been proposed in recent years. MTDs claim to increase the difficulty for the attacker in conducting attacks by regularly changing certain elements of the defense, such as cycling through configurations. To examine these claims, we study for the first time the effectiveness of several recent MTDs for adversarial ML attacks applied to the malware detection domain. Under different threat models, we show that transferability and query attack strategies can achieve high levels of evasion against these defenses through existing and novel attack strategies across Android and Windows. We also show that fingerprinting and reconnaissance are possible and demonstrate how attackers may obtain critical defense hyperparameters as well as information about how predictions are produced. Based on our findings, we present key recommendations for future work on the development of effective MTDs for adversarial attacks in ML-based malware detection.

Image geolocalization is the challenging task of predicting the geographic coordinates of origin for a given photo. It is an unsolved problem relying on the ability to combine visual clues with general knowledge about the world to make accurate predictions across geographies. We present $\href{https://huggingface.co/geolocal/StreetCLIP}{\text{StreetCLIP}}$, a robust, publicly available foundation model not only achieving state-of-the-art performance on multiple open-domain image geolocalization benchmarks but also doing so in a zero-shot setting, outperforming supervised models trained on more than 4 million images. Our method introduces a meta-learning approach for generalized zero-shot learning by pretraining CLIP from synthetic captions, grounding CLIP in a domain of choice. We show that our method effectively transfers CLIP's generalized zero-shot capabilities to the domain of image geolocalization, improving in-domain generalized zero-shot performance without finetuning StreetCLIP on a fixed set of classes.

Diffusion models have found widespread adoption in various areas. However, their sampling process is slow because it requires hundreds to thousands of network evaluations to emulate a continuous process defined by differential equations. In this work, we use neural operators, an efficient method to solve the probability flow differential equations, to accelerate the sampling process of diffusion models. Compared to other fast sampling methods that have a sequential nature, we are the first to propose parallel decoding method that generates images with only one model forward pass. We propose \textit{diffusion model sampling with neural operator} (DSNO) that maps the initial condition, i.e., Gaussian distribution, to the continuous-time solution trajectory of the reverse diffusion process. To model the temporal correlations along the trajectory, we introduce temporal convolution layers that are parameterized in the Fourier space into the given diffusion model backbone. We show our method achieves state-of-the-art FID of 4.12 for CIFAR-10 and 8.35 for ImageNet-64 in the one-model-evaluation setting.

In this work, we consider the problem of multi-step channel prediction in wireless communication systems. In existing works, autoregressive (AR) models are either replaced or combined with feed-forward neural networks(NNs) or, alternatively, with recurrent neural networks (RNNs). This paper explores the possibility of using sequence-to-sequence (Seq2Seq) and transformer neural network (TNN) models for channel state information (CSI) prediction. Simulation results show that both, Seq2Seq and TNNs, represent an appealing alternative to RNNs and feed-forward NNs in the context of CSI prediction. Additionally, the TNN with a few adaptations can extrapolate better than other models to CSI sequences that are either shorter or longer than the ones the model saw during training.

With the rising demand for wireless services and increased awareness of the need for data protection, existing network traffic analysis and management architectures are facing unprecedented challenges in classifying and synthesizing the increasingly diverse services and applications. This paper proposes FS-GAN, a federated self-supervised learning framework to support automatic traffic analysis and synthesis over a large number of heterogeneous datasets. FS-GAN is composed of multiple distributed Generative Adversarial Networks (GANs), with a set of generators, each being designed to generate synthesized data samples following the distribution of an individual service traffic, and each discriminator being trained to differentiate the synthesized data samples and the real data samples of a local dataset. A federated learning-based framework is adopted to coordinate local model training processes of different GANs across different datasets. FS-GAN can classify data of unknown types of service and create synthetic samples that capture the traffic distribution of the unknown types. We prove that FS-GAN can minimize the Jensen-Shannon Divergence (JSD) between the distribution of real data across all the datasets and that of the synthesized data samples. FS-GAN also maximizes the JSD among the distributions of data samples created by different generators, resulting in each generator producing synthetic data samples that follow the same distribution as one particular service type. Extensive simulation results show that the classification accuracy of FS-GAN achieves over 20% improvement in average compared to the state-of-the-art clustering-based traffic analysis algorithms. FS-GAN also has the capability to synthesize highly complex mixtures of traffic types without requiring any human-labeled data samples.

We propose a method for learning topology-preserving data representations (dimensionality reduction). The method aims to provide topological similarity between the data manifold and its latent representation via enforcing the similarity in topological features (clusters, loops, 2D voids, etc.) and their localization. The core of the method is the minimization of the Representation Topology Divergence (RTD) between original high-dimensional data and low-dimensional representation in latent space. RTD minimization provides closeness in topological features with strong theoretical guarantees. We develop a scheme for RTD differentiation and apply it as a loss term for the autoencoder. The proposed method ``RTD-AE'' better preserves the global structure and topology of the data manifold than state-of-the-art competitors as measured by linear correlation, triplet distance ranking accuracy, and Wasserstein distance between persistence barcodes.

In the dominant paradigm for designing equitable machine learning systems, one works to ensure that model predictions satisfy various fairness criteria, such as parity in error rates across race, gender, and other legally protected traits. That approach, however, typically ignores the downstream decisions and outcomes that predictions affect, and, as a result, can induce unexpected harms. Here we present an alternative framework for fairness that directly anticipates the consequences of decisions. Stakeholders first specify preferences over the possible outcomes of an algorithmically informed decision-making process. For example, lenders may prefer extending credit to those most likely to repay a loan, while also preferring similar lending rates across neighborhoods. One then searches the space of decision policies to maximize the specified utility. We develop and describe a method for efficiently learning these optimal policies from data for a large family of expressive utility functions, facilitating a more holistic approach to equitable decision-making.

Given a matrix $A\in \mathbb{R}^{n\times d}$ and a vector $b\in \mathbb{R}^n$, we consider the regression problem with $\ell_\infty$ guarantees: finding a vector $x'\in \mathbb{R}^d$ such that $ \|x'-x^*\|_\infty \leq \frac{\epsilon}{\sqrt{d}}\cdot \|Ax^*-b\|_2\cdot \|A^\dagger\|$ where $x^*=\arg\min_{x\in \mathbb{R}^d}\|Ax-b\|_2$. One popular approach for solving such $\ell_2$ regression problem is via sketching: picking a structured random matrix $S\in \mathbb{R}^{m\times n}$ with $m\ll n$ and $SA$ can be quickly computed, solve the ``sketched'' regression problem $\arg\min_{x\in \mathbb{R}^d} \|SAx-Sb\|_2$. In this paper, we show that in order to obtain such $\ell_\infty$ guarantee for $\ell_2$ regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with $m=\epsilon^{-2}d\log^3(n/\delta)$ such that solving the sketched regression problem gives the $\ell_\infty$ guarantee, with probability at least $1-\delta$. Moreover, the matrix $SA$ can be computed in time $O(nd\log n)$. Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in $d$ rows, $m=\Omega(\epsilon^{-2}d^{1+\gamma})$ for $\gamma=\Theta(\sqrt{\frac{\log\log n}{\log d}})$ is required. We also develop a novel analytical framework for $\ell_\infty$ guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

Conceptually, Neural Ordinary Differential Equations (NeuralODEs) pose an attractive way to extract dynamical laws from time series data, as they are natural extensions of the traditional differential equation-based modeling paradigm of the physical sciences. In practice, NeuralODEs display long training times and suboptimal results, especially for longer duration data where they may fail to fit the data altogether. While methods have been proposed to stabilize NeuralODE training, many of these involve placing a strong constraint on the functional form the trained NeuralODE can take that the actual underlying governing equation does not guarantee satisfaction. In this work, we present a novel NeuralODE training algorithm that leverages tools from the chaos and mathematical optimization communities - synchronization and homotopy optimization - for a breakthrough in tackling the NeuralODE training obstacle. We demonstrate architectural changes are unnecessary for effective NeuralODE training. Compared to the conventional training methods, our algorithm achieves drastically lower loss values without any changes to the model architectures. Experiments on both simulated and real systems with complex temporal behaviors demonstrate NeuralODEs trained with our algorithm are able to accurately capture true long term behaviors and correctly extrapolate into the future.

We analyze the inductive bias of gradient descent for weight normalized smooth homogeneous neural nets, when trained on exponential or cross-entropy loss. We analyse both standard weight normalization (SWN) and exponential weight normalization (EWN), and show that the gradient flow path with EWN is equivalent to gradient flow on standard networks with an adaptive learning rate. We extend these results to gradient descent, and establish asymptotic relations between weights and gradients for both SWN and EWN. We also show that EWN causes weights to be updated in a way that prefers asymptotic relative sparsity. For EWN, we provide a finite-time convergence rate of the loss with gradient flow and a tight asymptotic convergence rate with gradient descent. We demonstrate our results for SWN and EWN on synthetic data sets. Experimental results on simple datasets support our claim on sparse EWN solutions, even with SGD. This demonstrates its potential applications in learning neural networks amenable to pruning.

Black box optimisation of an unknown function from expensive and noisy evaluations is a ubiquitous problem in machine learning, academic research and industrial production. An abstraction of the problem can be formulated as a kernel based bandit problem (also known as Bayesian optimisation), where a learner aims at optimising a kernelized function through sequential noisy observations. The existing work predominantly assumes feedback is immediately available; an assumption which fails in many real world situations, including recommendation systems, clinical trials and hyperparameter tuning. We consider a kernel bandit problem under stochastically delayed feedback, and propose an algorithm with $\tilde{\mathcal{O}}(\sqrt{\Gamma_k(T)T}+\mathbb{E}[\tau])$ regret, where $T$ is the number of time steps, $\Gamma_k(T)$ is the maximum information gain of the kernel with $T$ observations, and $\tau$ is the delay random variable. This represents a significant improvement over the state of the art regret bound of $\tilde{\mathcal{O}}(\Gamma_k(T)\sqrt{T}+\mathbb{E}[\tau]\Gamma_k(T))$ reported in Verma et al. (2022). In particular, for very non-smooth kernels, the information gain grows almost linearly in time, trivializing the existing results. We also validate our theoretical results with simulations.

As graph data size increases, the vast latency and memory consumption during inference pose a significant challenge to the real-world deployment of Graph Neural Networks (GNNs). While quantization is a powerful approach to reducing GNNs complexity, most previous works on GNNs quantization fail to exploit the unique characteristics of GNNs, suffering from severe accuracy degradation. Through an in-depth analysis of the topology of GNNs, we observe that the topology of the graph leads to significant differences between nodes, and most of the nodes in a graph appear to have a small aggregation value. Motivated by this, in this paper, we propose the Aggregation-Aware mixed-precision Quantization ($\rm A^2Q$) for GNNs, where an appropriate bitwidth is automatically learned and assigned to each node in the graph. To mitigate the vanishing gradient problem caused by sparse connections between nodes, we propose a Local Gradient method to serve the quantization error of the node features as the supervision during training. We also develop a Nearest Neighbor Strategy to deal with the generalization on unseen graphs. Extensive experiments on eight public node-level and graph-level datasets demonstrate the generality and robustness of our proposed method. Compared to the FP32 models, our method can achieve up to a 18.6x (i.e., 1.70bit) compression ratio with negligible accuracy degradation. Morever, compared to the state-of-the-art quantization method, our method can achieve up to 11.4\% and 9.5\% accuracy improvements on the node-level and graph-level tasks, respectively, and up to 2x speedup on a dedicated hardware accelerator.

In this paper, we introduce weight prediction into the AdamW optimizer to boost its convergence when training the deep neural network (DNN) models. In particular, ahead of each mini-batch training, we predict the future weights according to the update rule of AdamW and then apply the predicted future weights to do both forward pass and backward propagation. In this way, the AdamW optimizer always utilizes the gradients w.r.t. the future weights instead of current weights to update the DNN parameters, making the AdamW optimizer achieve better convergence. Our proposal is simple and straightforward to implement but effective in boosting the convergence of DNN training. We performed extensive experimental evaluations on image classification and language modeling tasks to verify the effectiveness of our proposal. The experimental results validate that our proposal can boost the convergence of AdamW and achieve better accuracy than AdamW when training the DNN models.

Model parallelism has become necessary to train large neural networks. However, finding a suitable model parallel schedule for an arbitrary neural network is a non-trivial task due to the exploding search space. In this work, we present a model parallelism framework TAP that automatically searches for the best data and tensor parallel schedules. Leveraging the key insight that a neural network can be represented as a directed acyclic graph, within which may only exist a limited set of frequent subgraphs, we design a graph pruning algorithm to fold the search space efficiently. TAP runs at sub-linear complexity concerning the neural network size. Experiments show that TAP is $20\times- 160\times$ faster than the state-of-the-art automatic parallelism framework, and the performance of its discovered schedules is competitive with the expert-engineered ones.

Not all contracts are good, but all good contracts can be expressed as a finite-state transition system ("State-Transition Contracts"). Contracts that can be represented as State-Transition Contracts discretize fat-tailed risk to foreseeable, managed risk, define the boundary of relevant events governed by the relationship, and eliminate the potential of inconsistent contractual provisions. Additionally, State-Transition Contracts reap the substantial benefit of being able to be analyzed under the rules governing the science of the theory of computation. Simple State-Transition Contracts can be represented as discrete finite automata; more complicated State-Transition Contracts, such as those that have downstream effects on other agreements or complicated pathways of performance, benefit from representation as weighted finite-state transducers, with weights assigned as costs, penalties, or probabilities of transitions. This research paper (the "Research" or "Paper") presents a complex legal transaction represented as weighted finite-state transducers. Furthermore, we show that the mathematics/algorithms permitted by the algebraic structure of weighted finite-state transducers provides actionable, legal insight into the transaction.

Sparseness and robustness are two important properties for many machine learning scenarios. In the present study, regarding the maximum correntropy criterion (MCC) based robust regression algorithm, we investigate to integrate the MCC method with the automatic relevance determination (ARD) technique in a Bayesian framework, so that MCC-based robust regression could be implemented with adaptive sparseness. To be specific, we use an inherent noise assumption from the MCC to derive an explicit likelihood function, and realize the maximum a posteriori (MAP) estimation with the ARD prior by variational Bayesian inference. Compared to the existing robust and sparse L1-regularized MCC regression, the proposed MCC-ARD regression can eradicate the troublesome tuning for the regularization hyper-parameter which controls the regularization strength. Further, MCC-ARD achieves superior prediction performance and feature selection capability than L1-regularized MCC, as demonstrated by a noisy and high-dimensional simulation study.

A significant body of recent research in the field of Learning Analytics has focused on leveraging machine learning approaches for predicting at-risk students in order to initiate timely interventions and thereby elevate retention and completion rates. The overarching feature of the majority of these research studies has been on the science of prediction only. The component of predictive analytics concerned with interpreting the internals of the models and explaining their predictions for individual cases to stakeholders has largely been neglected. Additionally, works that attempt to employ data-driven prescriptive analytics to automatically generate evidence-based remedial advice for at-risk learners are in their infancy. eXplainable AI is a field that has recently emerged providing cutting-edge tools which support transparent predictive analytics and techniques for generating tailored advice for at-risk students. This study proposes a novel framework that unifies both transparent machine learning as well as techniques for enabling prescriptive analytics, while integrating the latest advances in large language models. This work practically demonstrates the proposed framework using predictive models for identifying at-risk learners of programme non-completion. The study then further demonstrates how predictive modelling can be augmented with prescriptive analytics on two case studies in order to generate human-readable prescriptive feedback for those who are at risk using ChatGPT.

We study the finite-horizon offline reinforcement learning (RL) problem. Since actions at any state can affect next-state distributions, the related distributional shift challenges can make this problem far more statistically complex than offline policy learning for a finite sequence of stochastic contextual bandit environments. We formalize this insight by showing that the statistical hardness of offline RL instances can be measured by estimating the size of actions' impact on next-state distributions. Furthermore, this estimated impact allows us to propagate just enough value function uncertainty from future steps to avoid model exploitation, enabling us to develop algorithms that improve upon traditional pessimistic approaches for offline RL on statistically simple instances. Our approach is supported by theory and simulations.

Offline model selection (OMS), that is, choosing the best policy from a set of many policies given only logged data, is crucial for applying offline RL in real-world settings. One idea that has been extensively explored is to select policies based on the mean squared Bellman error (MSBE) of the associated Q-functions. However, previous work has struggled to obtain adequate OMS performance with Bellman errors, leading many researchers to abandon the idea. Through theoretical and empirical analyses, we elucidate why previous work has seen pessimistic results with Bellman errors and identify conditions under which OMS algorithms based on Bellman errors will perform well. Moreover, we develop a new estimator of the MSBE that is more accurate than prior methods and obtains impressive OMS performance on diverse discrete control tasks, including Atari games. We open-source our data and code to enable researchers to conduct OMS experiments more easily.

The ability to use inductive reasoning to extract general rules from multiple observations is a vital indicator of intelligence. As humans, we use this ability to not only interpret the world around us, but also to predict the outcomes of the various interactions we experience. Generalising over multiple observations is a task that has historically presented difficulties for machines to grasp, especially when requiring computer vision. In this paper, we propose a model that can extract general rules from video demonstrations by simultaneously performing summarisation and translation. Our approach differs from prior works by framing the problem as a multi-sequence-to-sequence task, wherein summarisation is learnt by the model. This allows our model to utilise edge cases that would otherwise be suppressed or discarded by traditional summarisation techniques. Additionally, we show that our approach can handle noisy specifications without the need for additional filtering methods. We evaluate our model by synthesising programs from video demonstrations in the Vizdoom environment achieving state-of-the-art results with a relative increase of 11.75% program accuracy on prior works

On-policy algorithms are supposed to be stable, however, sample-intensive yet. Off-policy algorithms utilizing past experiences are deemed to be sample-efficient, nevertheless, unstable in general. Can we design an algorithm that can employ the off-policy data, while exploit the stable learning by sailing along the course of the on-policy walkway? In this paper, we present an actor-critic learning framework that borrows the distributional perspective of interest to evaluate, and cross-breeds two sources of the data for policy improvement, which enables fast learning and can be applied to a wide class of algorithms. In its backbone, the variance reduction mechanisms, such as unified advantage estimator (UAE), that extends generalized advantage estimator (GAE) to be applicable on any state-dependent baseline, and a learned baseline, that is competent to stabilize the policy gradient, are firstly put forward to not merely be a bridge to the action-value function but also distill the advantageous learning signal. Lastly, it is empirically shown that our method improves sample efficiency and interpolates different levels well. Being of an organic whole, its mixture places more inspiration to the algorithm design.

Generative adversarial networks (GANs) have many application areas including image editing, domain translation, missing data imputation, and support for creative work. However, GANs are considered 'black boxes'. Specifically, the end-users have little control over how to improve editing directions through disentanglement. Prior work focused on new GAN architectures to disentangle editing directions. Alternatively, we propose GANravel a user-driven direction disentanglement tool that complements the existing GAN architectures and allows users to improve editing directions iteratively. In two user studies with 16 participants each, GANravel users were able to disentangle directions and outperformed the state-of-the-art direction discovery baselines in disentanglement performance. In the second user study, GANravel was used in a creative task of creating dog memes and was able to create high-quality edited images and GIFs.  ( 2 min )

We introduce the Blackwell discount factor for Markov Decision Processes (MDPs). Classical objectives for MDPs include discounted, average, and Blackwell optimality. Many existing approaches to computing average-optimal policies solve for discounted optimal policies with a discount factor close to $1$, but they only work under strong or hard-to-verify assumptions such as ergodicity or weakly communicating MDPs. In this paper, we show that when the discount factor is larger than the Blackwell discount factor $\gamma_{\mathrm{bw}}$, all discounted optimal policies become Blackwell- and average-optimal, and we derive a general upper bound on $\gamma_{\mathrm{bw}}$. The upper bound on $\gamma_{\mathrm{bw}}$ provides the first reduction from average and Blackwell optimality to discounted optimality, without any assumptions, and new polynomial-time algorithms for average- and Blackwell-optimal policies. Our work brings new ideas from the study of polynomials and algebraic numbers to the analysis of MDPs. Our results also apply to robust MDPs, enabling the first algorithms to compute robust Blackwell-optimal policies.  ( 2 min )

Suppose we observe a random vector $X$ from some distribution $P$ in a known family with unknown parameters. We ask the following question: when is it possible to split $X$ into two parts $f(X)$ and $g(X)$ such that neither part is sufficient to reconstruct $X$ by itself, but both together can recover $X$ fully, and the joint distribution of $(f(X),g(X))$ is tractable? As one example, if $X=(X_1,\dots,X_n)$ and $P$ is a product distribution, then for any $m<n$, we can split the sample to define $f(X)=(X_1,\dots,X_m)$ and $g(X)=(X_{m+1},\dots,X_n)$. Rasines and Young (2022) offers an alternative route of accomplishing this task through randomization of $X$ with additive Gaussian noise which enables post-selection inference in finite samples for Gaussian distributed data and asymptotically for non-Gaussian additive models. In this paper, we offer a more general methodology for achieving such a split in finite samples by borrowing ideas from Bayesian inference to yield a (frequentist) solution that can be viewed as a continuous analog of data splitting. We call our method data fission, as an alternative to data splitting, data carving and p-value masking. We exemplify the method on a few prototypical applications, such as post-selection inference for trend filtering and other regression problems.  ( 2 min )

Machine learning algorithms based on parametrized quantum circuits are prime candidates for near-term applications on noisy quantum computers. In this direction, various types of quantum machine learning models have been introduced and studied extensively. Yet, our understanding of how these models compare, both mutually and to classical models, remains limited. In this work, we identify a constructive framework that captures all standard models based on parametrized quantum circuits: that of linear quantum models. In particular, we show using tools from quantum information theory how data re-uploading circuits, an apparent outlier of this framework, can be efficiently mapped into the simpler picture of linear models in quantum Hilbert spaces. Furthermore, we analyze the experimentally-relevant resource requirements of these models in terms of qubit number and amount of data needed to learn. Based on recent results from classical machine learning, we prove that linear quantum models must utilize exponentially more qubits than data re-uploading models in order to solve certain learning tasks, while kernel methods additionally require exponentially more data points. Our results provide a more comprehensive view of quantum machine learning models as well as insights on the compatibility of different models with NISQ constraints.

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the \textit{sequential predictive conformal inference} (\texttt{SPCI}). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to exploit the temporal dependence of non-conformity scores (e.g., prediction residuals); thus, the past residuals contain information about future ones. Then we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of \texttt{SPCI} compared to other existing methods under the desired empirical coverage.

Recent works have demonstrated that neural networks exhibit extreme simplicity bias(SB). That is, they learn only the simplest features to solve a task at hand, even in the presence of other, more robust but more complex features. Due to the lack of a general and rigorous definition of features, these works showcase SB on semi-synthetic datasets such as Color-MNIST, MNIST-CIFAR where defining features is relatively easier. In this work, we rigorously define as well as thoroughly establish SB for one hidden layer neural networks. More concretely, (i) we define SB as the network essentially being a function of a low dimensional projection of the inputs (ii) theoretically, we show that when the data is linearly separable, the network primarily depends on only the linearly separable ($1$-dimensional) subspace even in the presence of an arbitrarily large number of other, more complex features which could have led to a significantly more robust classifier, (iii) empirically, we show that models trained on real datasets such as Imagenette and Waterbirds-Landbirds indeed depend on a low dimensional projection of the inputs, thereby demonstrating SB on these datasets, iv) finally, we present a natural ensemble approach that encourages diversity in models by training successive models on features not used by earlier models, and demonstrate that it yields models that are significantly more robust to Gaussian noise.

We consider the problem of learning a target function corresponding to a deep, extensive-width, non-linear neural network with random Gaussian weights. We consider the asymptotic limit where the number of samples, the input dimension and the network width are proportionally large. We derive a closed-form expression for the Bayes-optimal test error, for regression and classification tasks. We contrast these Bayes-optimal errors with the test errors of ridge regression, kernel and random features regression. We find, in particular, that optimally regularized ridge regression, as well as kernel regression, achieve Bayes-optimal performances, while the logistic loss yields a near-optimal test error for classification. We further show numerically that when the number of samples grows faster than the dimension, ridge and kernel methods become suboptimal, while neural networks achieve test error close to zero from quadratically many samples.

In many applications in engineering and sciences analysts have simultaneous access to multiple data sources. In such cases, the overall cost of acquiring information can be reduced via data fusion or multi-fidelity (MF) modeling where one leverages inexpensive low-fidelity (LF) sources to reduce the reliance on expensive high-fidelity (HF) data. In this paper, we employ neural networks (NNs) for data fusion in scenarios where data is very scarce and obtained from an arbitrary number of sources with varying levels of fidelity and cost. We introduce a unique NN architecture that converts MF modeling into a nonlinear manifold learning problem. Our NN architecture inversely learns non-trivial (e.g., non-additive and non-hierarchical) biases of the LF sources in an interpretable and visualizable manifold where each data source is encoded via a low-dimensional distribution. This probabilistic manifold quantifies model form uncertainties such that LF sources with small bias are encoded close to the HF source. Additionally, we endow the output of our NN with a parametric distribution not only to quantify aleatoric uncertainties, but also to reformulate the network's loss function based on strictly proper scoring rules which improve robustness and accuracy on unseen HF data. Through a set of analytic and engineering examples, we demonstrate that our approach provides a high predictive power while quantifying various sources uncertainties.

Offline reinforcement learning is important in domains such as medicine, economics, and e-commerce where online experimentation is costly, dangerous or unethical, and where the true model is unknown. However, most methods assume all covariates used in the behavior policy's action decisions are observed. This untestable assumption may be incorrect. We study robust policy evaluation and policy optimization in the presence of unobserved confounders. We assume the extent of possible unobserved confounding can be bounded by a sensitivity model, and that the unobserved confounders are sequentially exogenous. We propose and analyze an (orthogonalized) robust fitted-Q-iteration that uses closed-form solutions of the robust Bellman operator to derive a loss minimization problem for the robust Q function. Our algorithm enjoys the computational ease of fitted-Q-iteration and statistical improvements (reduced dependence on quantile estimation error) from orthogonalization. We provide sample complexity bounds, insights, and show effectiveness in simulations.

We analyze the inductive bias of gradient descent for weight normalized smooth homogeneous neural nets, when trained on exponential or cross-entropy loss. We analyse both standard weight normalization (SWN) and exponential weight normalization (EWN), and show that the gradient flow path with EWN is equivalent to gradient flow on standard networks with an adaptive learning rate. We extend these results to gradient descent, and establish asymptotic relations between weights and gradients for both SWN and EWN. We also show that EWN causes weights to be updated in a way that prefers asymptotic relative sparsity. For EWN, we provide a finite-time convergence rate of the loss with gradient flow and a tight asymptotic convergence rate with gradient descent. We demonstrate our results for SWN and EWN on synthetic data sets. Experimental results on simple datasets support our claim on sparse EWN solutions, even with SGD. This demonstrates its potential applications in learning neural networks amenable to pruning.

Molecular systems often remain trapped for long times around some local minimum of the potential energy function, before switching to another one -- a behavior known as metastability. Simulating transition paths linking one metastable state to another one is difficult by direct numerical methods. In view of the promises of machine learning techniques, we explore in this work two approaches to more efficiently generate transition paths: sampling methods based on generative models such as variational autoencoders, and importance sampling methods based on reinforcement learning.

The proliferation of automated data collection schemes and the advances in sensorics are increasing the amount of data we are able to monitor in real-time. However, given the high annotation costs and the time required by quality inspections, data is often available in an unlabeled form. This is fostering the use of active learning for the development of soft sensors and predictive models. In production, instead of performing random inspections to obtain product information, labels are collected by evaluating the information content of the unlabeled data. Several query strategy frameworks for regression have been proposed in the literature but most of the focus has been dedicated to the static pool-based scenario. In this work, we propose a new strategy for the stream-based scenario, where instances are sequentially offered to the learner, which must instantaneously decide whether to perform the quality check to obtain the label or discard the instance. The approach is inspired by the optimal experimental design theory and the iterative aspect of the decision-making process is tackled by setting a threshold on the informativeness of the unlabeled data points. The proposed approach is evaluated using numerical simulations and the Tennessee Eastman Process simulator. The results confirm that selecting the examples suggested by the proposed algorithm allows for a faster reduction in the prediction error.

In the age of big data and interpretable machine learning, approaches need to work at scale and at the same time allow for a clear mathematical understanding of the method's inner workings. While there exist inherently interpretable semi-parametric regression techniques for large-scale applications to account for non-linearity in the data, their model complexity is still often restricted. One of the main limitations are missing interactions in these models, which are not included for the sake of better interpretability, but also due to untenable computational costs. To address this shortcoming, we derive a scalable high-order tensor product spline model using a factorization approach. Our method allows to include all (higher-order) interactions of non-linear feature effects while having computational costs proportional to a model without interactions. We prove both theoretically and empirically that our methods scales notably better than existing approaches, derive meaningful penalization schemes and also discuss further theoretical aspects. We finally investigate predictive and estimation performance both with synthetic and real data.

We develop an extension of posterior sampling for reinforcement learning (PSRL) that is suited for a continuing agent-environment interface and integrates naturally into agent designs that scale to complex environments. The approach, continuing PSRL, maintains a statistically plausible model of the environment and follows a policy that maximizes expected $\gamma$-discounted return in that model. At each time, with probability $1-\gamma$, the model is replaced by a sample from the posterior distribution over environments. For a choice of discount factor that suitably depends on the horizon $T$, we establish an $\tilde{O}(\tau S \sqrt{A T})$ bound on the Bayesian regret, where $S$ is the number of environment states, $A$ is the number of actions, and $\tau$ denotes the reward averaging time, which is a bound on the duration required to accurately estimate the average reward of any policy. Our work is the first to formalize and rigorously analyze the resampling approach with randomized exploration.

Optimal transport (OT) has become exceedingly popular in machine learning, data science, and computer vision. The core assumption in the OT problem is the equal total amount of mass in source and target measures, which limits its application. Optimal Partial Transport (OPT) is a recently proposed solution to this limitation. Similar to the OT problem, the computation of OPT relies on solving a linear programming problem (often in high dimensions), which can become computationally prohibitive. In this paper, we propose an efficient algorithm for calculating the OPT problem between two non-negative measures in one dimension. Next, following the idea of sliced OT distances, we utilize slicing to define the sliced OPT distance. Finally, we demonstrate the computational and accuracy benefits of the sliced OPT-based method in various numerical experiments. In particular, we show an application of our proposed Sliced-OPT in noisy point cloud registration.

In this work, we consider the problem of multi-step channel prediction in wireless communication systems. In existing works, autoregressive (AR) models are either replaced or combined with feed-forward neural networks(NNs) or, alternatively, with recurrent neural networks (RNNs). This paper explores the possibility of using sequence-to-sequence (Seq2Seq) and transformer neural network (TNN) models for channel state information (CSI) prediction. Simulation results show that both, Seq2Seq and TNNs, represent an appealing alternative to RNNs and feed-forward NNs in the context of CSI prediction. Additionally, the TNN with a few adaptations can extrapolate better than other models to CSI sequences that are either shorter or longer than the ones the model saw during training.

This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.

Estimating an individual's potential outcomes under counterfactual treatments is a challenging task for traditional causal inference and supervised learning approaches when the outcome is high-dimensional (e.g. gene expressions, impulse responses, human faces) and covariates are relatively limited. In this case, to construct one's outcome under a counterfactual treatment, it is crucial to leverage individual information contained in its observed factual outcome on top of the covariates. We propose a deep variational Bayesian framework that rigorously integrates two main sources of information for outcome construction under a counterfactual treatment: one source is the individual features embedded in the high-dimensional factual outcome; the other source is the response distribution of similar subjects (subjects with the same covariates) that factually received this treatment of interest.

We address the problem of validating the ouput of clustering algorithms. Given data $\mathcal{D}$ and a partition $\mathcal{C}$ of these data into $K$ clusters, when can we say that the clusters obtained are correct or meaningful for the data? This paper introduces a paradigm in which a clustering $\mathcal{C}$ is considered meaningful if it is good with respect to a loss function such as the K-means distortion, and stable, i.e. the only good clustering up to small perturbations. Furthermore, we present a generic method to obtain post-inference guarantees of near-optimality and stability for a clustering $\mathcal{C}$. The method can be instantiated for a variety of clustering criteria (also called loss functions) for which convex relaxations exist. Obtaining the guarantees amounts to solving a convex optimization problem. We demonstrate the practical relevance of this method by obtaining guarantees for the K-means and the Normalized Cut clustering criteria on realistic data sets. We also prove that asymptotic instability implies finite sample instability w.h.p., allowing inferences about the population clusterability from a sample. The guarantees do not depend on any distributional assumptions, but they depend on the data set $\mathcal{D}$ admitting a stable clustering.

Simulation models often lack tractable likelihood functions, making likelihood-free inference methods indispensable. Approximate Bayesian computation generates likelihood-free posterior samples by comparing simulated and observed data through some distance measure, but existing approaches are often poorly suited to time series simulators, for example due to an independent and identically distributed data assumption. In this paper, we propose to use path signatures in approximate Bayesian computation to handle the sequential nature of time series. We provide theoretical guarantees on the resultant posteriors and demonstrate competitive Bayesian parameter inference for simulators generating univariate, multivariate, irregularly spaced, and even non-Euclidean sequences.

Online prediction from experts is a fundamental problem in machine learning and several works have studied this problem under privacy constraints. We propose and analyze new algorithms for this problem that improve over the regret bounds of the best existing algorithms for non-adaptive adversaries. For approximate differential privacy, our algorithms achieve regret bounds of $\tilde{O}(\sqrt{T \log d} + \log d/\varepsilon)$ for the stochastic setting and $\tilde O(\sqrt{T \log d} + T^{1/3} \log d/\varepsilon)$ for oblivious adversaries (where $d$ is the number of experts). For pure DP, our algorithms are the first to obtain sub-linear regret for oblivious adversaries in the high-dimensional regime $d \ge T$. Moreover, we prove new lower bounds for adaptive adversaries. Our results imply that unlike the non-private setting, there is a strong separation between the optimal regret for adaptive and non-adaptive adversaries for this problem. Our lower bounds also show a separation between pure and approximate differential privacy for adaptive adversaries where the latter is necessary to achieve the non-private $O(\sqrt{T})$ regret.

Predictive models -- as with machine learning -- can underpin causal inference, to estimate the effects of an intervention at the population or individual level. This opens the door to a plethora of models, useful to match the increasing complexity of health data, but also the Pandora box of model selection: which of these models yield the most valid causal estimates? Classic machine-learning cross-validation procedures are not directly applicable. Indeed, an appropriate selection procedure for causal inference should equally weight both outcome errors for each individual, treated or not treated, whereas one outcome may be seldom observed for a sub-population. We study how more elaborate risks benefit causal model selection. We show theoretically that simple risks are brittle to weak overlap between treated and non-treated individuals as well as to heterogeneous errors between populations. Rather a more elaborate metric, the R-risk appears as a proxy of the oracle error on causal estimates, observable at the cost of an overlap re-weighting. As the R-risk is defined not only from model predictions but also by using the conditional mean outcome and the treatment probability, using it for model selection requires adapting cross validation. Extensive experiments show that the resulting procedure gives the best causal model selection.

Large-scale, two-sided matching platforms must find market outcomes that align with user preferences while simultaneously learning these preferences from data. Classical notions of stability (Gale and Shapley, 1962; Shapley and Shubik, 1971) are unfortunately of limited value in the learning setting, given that preferences are inherently uncertain and destabilizing while they are being learned. To bridge this gap, we develop a framework and algorithms for learning stable market outcomes under uncertainty. Our primary setting is matching with transferable utilities, where the platform both matches agents and sets monetary transfers between them. We design an incentive-aware learning objective that captures the distance of a market outcome from equilibrium. Using this objective, we analyze the complexity of learning as a function of preference structure, casting learning as a stochastic multi-armed bandit problem. Algorithmically, we show that "optimism in the face of uncertainty," the principle underlying many bandit algorithms, applies to a primal-dual formulation of matching with transfers and leads to near-optimal regret bounds. Our work takes a first step toward elucidating when and how stable matchings arise in large, data-driven marketplaces.

Machine learning models can be improved by adapting them to respect existing background knowledge. In this paper we consider multitask Gaussian processes, with background knowledge in the form of constraints that require a specific sum of the outputs to be constant. This is achieved by conditioning the prior distribution on the constraint fulfillment. The approach allows for both linear and nonlinear constraints. We demonstrate that the constraints are fulfilled with high precision and that the construction can improve the overall prediction accuracy as compared to the standard Gaussian process.

Hamiltonian Monte Carlo (HMC) is a powerful algorithm to sample latent variables from Bayesian models. The advent of probabilistic programming languages (PPLs) frees users from writing inference algorithms and lets users focus on modeling. However, many models are difficult for HMC to solve directly, which often require tricks like model reparameterization. We are motivated by the fact that many of those models could be simplified by marginalization. We propose to use automatic marginalization as part of the sampling process using HMC in a graphical model extracted from a PPL, which substantially improves sampling from real-world hierarchical models.

In this work, we study a natural nonparametric estimator of the transition probability matrices of a finite controlled Markov chain. We consider an offline setting with a fixed dataset, collected using a so-called logging policy. We develop sample complexity bounds for the estimator and establish conditions for minimaxity. Our statistical bounds depend on the logging policy through its mixing properties. We show that achieving a particular statistical risk bound involves a subtle and interesting trade-off between the strength of the mixing properties and the number of samples. We demonstrate the validity of our results under various examples, such as ergodic Markov chains, weakly ergodic inhomogeneous Markov chains, and controlled Markov chains with non-stationary Markov, episodic, and greedy controls. Lastly, we use these sample complexity bounds to establish concomitant ones for offline evaluation of stationary Markov control policies.

We introduce the group-equivariant autoencoder (GE-autoencoder) -- a deep neural network (DNN) method that locates phase boundaries by determining which symmetries of the Hamiltonian have spontaneously broken at each temperature. We use group theory to deduce which symmetries of the system remain intact in all phases, and then use this information to constrain the parameters of the GE-autoencoder such that the encoder learns an order parameter invariant to these ``never-broken'' symmetries. This procedure produces a dramatic reduction in the number of free parameters such that the GE-autoencoder size is independent of the system size. We include symmetry regularization terms in the loss function of the GE-autoencoder so that the learned order parameter is also equivariant to the remaining symmetries of the system. By examining the group representation by which the learned order parameter transforms, we are then able to extract information about the associated spontaneous symmetry breaking. We test the GE-autoencoder on the 2D classical ferromagnetic and antiferromagnetic Ising models, finding that the GE-autoencoder (1) accurately determines which symmetries have spontaneously broken at each temperature; (2) estimates the critical temperature in the thermodynamic limit with greater accuracy, robustness, and time-efficiency than a symmetry-agnostic baseline autoencoder; and (3) detects the presence of an external symmetry-breaking magnetic field with greater sensitivity than the baseline method. Finally, we describe various key implementation details, including a new method for extracting the critical temperature estimate from trained autoencoders and calculations of the DNN initialization and learning rate settings required for fair model comparisons.

Screening classifiers are increasingly used to identify qualified candidates in a variety of selection processes. In this context, it has been recently shown that, if a classifier is calibrated, one can identify the smallest set of candidates which contains, in expectation, a desired number of qualified candidates using a threshold decision rule. This lends support to focusing on calibration as the only requirement for screening classifiers. In this paper, we argue that screening policies that use calibrated classifiers may suffer from an understudied type of within-group discrimination -- they may discriminate against qualified members within demographic groups of interest. Further, we argue that this type of discrimination can be avoided if classifiers satisfy within-group monotonicity, a natural monotonicity property within each of the groups. Then, we introduce an efficient post-processing algorithm based on dynamic programming to minimally modify a given calibrated classifier so that its probability estimates satisfy within-group monotonicity. We validate our algorithm using US Census survey data and show that within-group monotonicity can be often achieved at a small cost in terms of prediction granularity and shortlist size.

Empirical neural tangent kernels (eNTKs) can provide a good understanding of a given network's representation: they are often far less expensive to compute and applicable more broadly than infinite width NTKs. For networks with O output units (e.g. an O-class classifier), however, the eNTK on N inputs is of size $NO \times NO$, taking $O((NO)^2)$ memory and up to $O((NO)^3)$ computation. Most existing applications have therefore used one of a handful of approximations yielding $N \times N$ kernel matrices, saving orders of magnitude of computation, but with limited to no justification. We prove that one such approximation, which we call "sum of logits", converges to the true eNTK at initialization for any network with a wide final "readout" layer. Our experiments demonstrate the quality of this approximation for various uses across a range of settings.

Many compression techniques have been proposed to reduce the communication overhead of Federated Learning training procedures. However, these are typically designed for compressing model updates, which are expected to decay throughout training. As a result, such methods are inapplicable to downlink (i.e., from the parameter server to clients) compression in the cross-device setting, where heterogeneous clients $\textit{may appear only once}$ during training and thus must download the model parameters. In this paper, we propose a new framework ($\texttt{DoCoFL}$) for downlink compression in the cross-device federated learning setting. Importantly, $\texttt{DoCoFL}$ can be seamlessly combined with many uplink compression schemes, rendering it suitable for bi-directional compression. Through extensive evaluation, we demonstrate that $\texttt{DoCoFL}$ offers significant bi-directional bandwidth reduction while achieving competitive accuracy to that of $\texttt{FedAvg}$ without compression.

We show that taking the width and depth to infinity in a deep neural network with skip connections, when branches are scaled by $1/\sqrt{depth}$ (the only nontrivial scaling), result in the same covariance structure no matter how that limit is taken. This explains why the standard infinite-width-then-depth approach provides practical insights even for networks with depth of the same order as width. We also demonstrate that the pre-activations, in this case, have Gaussian distributions which has direct applications in Bayesian deep learning. We conduct extensive simulations that show an excellent match with our theoretical findings.

Black box optimisation of an unknown function from expensive and noisy evaluations is a ubiquitous problem in machine learning, academic research and industrial production. An abstraction of the problem can be formulated as a kernel based bandit problem (also known as Bayesian optimisation), where a learner aims at optimising a kernelized function through sequential noisy observations. The existing work predominantly assumes feedback is immediately available; an assumption which fails in many real world situations, including recommendation systems, clinical trials and hyperparameter tuning. We consider a kernel bandit problem under stochastically delayed feedback, and propose an algorithm with $\tilde{\mathcal{O}}(\sqrt{\Gamma_k(T)T}+\mathbb{E}[\tau])$ regret, where $T$ is the number of time steps, $\Gamma_k(T)$ is the maximum information gain of the kernel with $T$ observations, and $\tau$ is the delay random variable. This represents a significant improvement over the state of the art regret bound of $\tilde{\mathcal{O}}(\Gamma_k(T)\sqrt{T}+\mathbb{E}[\tau]\Gamma_k(T))$ reported in Verma et al. (2022). In particular, for very non-smooth kernels, the information gain grows almost linearly in time, trivializing the existing results. We also validate our theoretical results with simulations.

The analysis of data stored in multiple sites has become more popular, raising new concerns about the security of data storage and communication. Federated learning, which does not require centralizing data, is a common approach to preventing heavy data transportation, securing valued data, and protecting personal information protection. Therefore, determining how to aggregate the information obtained from the analysis of data in separate local sites has become an important statistical issue. The commonly used averaging methods may not be suitable due to data nonhomogeneity and incomparable results among individual sites, and applying them may result in the loss of information obtained from the individual analyses. Using a sequential method in federated learning with distributed computing can facilitate the integration and accelerate the analysis process. We develop a data-driven method for efficiently and effectively aggregating valued information by analyzing local data without encountering potential issues such as information security and heavy transportation due to data communication. In addition, the proposed method can preserve the properties of classical sequential adaptive design, such as data-driven sample size and estimation precision when applied to generalized linear models. We use numerical studies of simulated data and an application to COVID-19 data collected from 32 hospitals in Mexico, to illustrate the proposed method.  ( 2 min )

The Hidden Markov Model (HMM) is one of the most widely used statistical models for sequential data analysis, and it has been successfully applied in a large variety of domains. One of the key reasons for this versatility is the ability of HMMs to deal with missing data. However, standard HMM learning algorithms rely crucially on the assumption that the positions of the missing observations within the observation sequence are known. In some situations where such assumptions are not feasible, a number of special algorithms have been developed. Currently, these algorithms rely strongly on specific structural assumptions of the underlying chain, such as acyclicity, and are not applicable in the general case. In particular, there are numerous domains within medicine and computational biology, where the missing observation locations are unknown and acyclicity assumptions do not hold, thus presenting a barrier for the application of HMMs in those fields. In this paper we consider a general problem of learning HMMs from data with unknown missing observation locations (i.e., only the order of the non-missing observations are known). We introduce a generative model of the location omissions and propose two learning methods for this model, a (semi) analytic approach, and a Gibbs sampler. We evaluate and compare the algorithms in a variety of scenarios, measuring their reconstruction precision and robustness under model misspecification.  ( 2 min )

Diffusion-based image translation guided by semantic texts or a single target image has enabled flexible style transfer which is not limited to the specific domains. Unfortunately, due to the stochastic nature of diffusion models, it is often difficult to maintain the original content of the image during the reverse diffusion. To address this, here we present a novel diffusion-based unsupervised image translation method using disentangled style and content representation. Specifically, inspired by the splicing Vision Transformer, we extract intermediate keys of multihead self attention layer from ViT model and used them as the content preservation loss. Then, an image guided style transfer is performed by matching the [CLS] classification token from the denoised samples and target image, whereas additional CLIP loss is used for the text-driven style transfer. To further accelerate the semantic change during the reverse diffusion, we also propose a novel semantic divergence loss and resampling strategy. Our experimental results show that the proposed method outperforms state-of-the-art baseline models in both text-guided and image-guided translation tasks.  ( 2 min )

We propose a novel supervised learning approach for political ideology prediction (PIP) that is capable of predicting out-of-distribution inputs. This problem is motivated by the fact that manual data-labeling is expensive, while self-reported labels are often scarce and exhibit significant selection bias. We propose a novel statistical model that decomposes the document embeddings into a linear superposition of two vectors; a latent neutral \emph{context} vector independent of ideology, and a latent \emph{position} vector aligned with ideology. We train an end-to-end model that has intermediate contextual and positional vectors as outputs. At deployment time, our model predicts labels for input documents by exclusively leveraging the predicted positional vectors. On two benchmark datasets we show that our model is capable of outputting predictions even when trained with as little as 5\% biased data, and is significantly more accurate than the state-of-the-art. Through crowd-sourcing we validate the neutrality of contextual vectors, and show that context filtering results in ideological concentration, allowing for prediction on out-of-distribution examples.  ( 2 min )

Sparseness and robustness are two important properties for many machine learning scenarios. In the present study, regarding the maximum correntropy criterion (MCC) based robust regression algorithm, we investigate to integrate the MCC method with the automatic relevance determination (ARD) technique in a Bayesian framework, so that MCC-based robust regression could be implemented with adaptive sparseness. To be specific, we use an inherent noise assumption from the MCC to derive an explicit likelihood function, and realize the maximum a posteriori (MAP) estimation with the ARD prior by variational Bayesian inference. Compared to the existing robust and sparse L1-regularized MCC regression, the proposed MCC-ARD regression can eradicate the troublesome tuning for the regularization hyper-parameter which controls the regularization strength. Further, MCC-ARD achieves superior prediction performance and feature selection capability than L1-regularized MCC, as demonstrated by a noisy and high-dimensional simulation study.  ( 2 min )

We quantify the parameter stability of a spherical Gaussian Mixture Model (sGMM) under small perturbations in distribution space. Namely, we derive the first explicit bound to show that for a mixture of spherical Gaussian $P$ (sGMM) in a pre-defined model class, all other sGMM close to $P$ in this model class in total variation distance has a small parameter distance to $P$. Further, this upper bound only depends on $P$. The motivation for this work lies in providing guarantees for fitting Gaussian mixtures; with this aim in mind, all the constants involved are well defined and distribution free conditions for fitting mixtures of spherical Gaussians. Our results tighten considerably the existing computable bounds, and asymptotically match the known sharp thresholds for this problem.  ( 2 min )

Modeling the joint distribution of high-dimensional data is a central task in unsupervised machine learning. In recent years, many interests have been attracted to developing learning models based on tensor networks, which have the advantages of a principle understanding of the expressive power using entanglement properties, and as a bridge connecting classical computation and quantum computation. Despite the great potential, however, existing tensor network models for unsupervised machine learning only work as a proof of principle, as their performance is much worse than the standard models such as restricted Boltzmann machines and neural networks. In this Letter, we present autoregressive matrix product states (AMPS), a tensor network model combining matrix product states from quantum many-body physics and autoregressive modeling from machine learning. Our model enjoys the exact calculation of normalized probability and unbiased sampling. We demonstrate the performance of our model using two applications, generative modeling on synthetic and real-world data, and reinforcement learning in statistical physics. Using extensive numerical experiments, we show that the proposed model significantly outperforms the existing tensor network models and the restricted Boltzmann machines, and is competitive with state-of-the-art neural network models.  ( 2 min )

Offline model selection (OMS), that is, choosing the best policy from a set of many policies given only logged data, is crucial for applying offline RL in real-world settings. One idea that has been extensively explored is to select policies based on the mean squared Bellman error (MSBE) of the associated Q-functions. However, previous work has struggled to obtain adequate OMS performance with Bellman errors, leading many researchers to abandon the idea. Through theoretical and empirical analyses, we elucidate why previous work has seen pessimistic results with Bellman errors and identify conditions under which OMS algorithms based on Bellman errors will perform well. Moreover, we develop a new estimator of the MSBE that is more accurate than prior methods and obtains impressive OMS performance on diverse discrete control tasks, including Atari games. We open-source our data and code to enable researchers to conduct OMS experiments more easily.  ( 2 min )

A fundamental problem in manifold learning is to approximate a functional relationship in a data chosen randomly from a probability distribution supported on a low dimensional sub-manifold of a high dimensional ambient Euclidean space. The manifold is essentially defined by the data set itself and, typically, designed so that the data is dense on the manifold in some sense. The notion of a data space is an abstraction of a manifold encapsulating the essential properties that allow for function approximation. The problem of transfer learning (meta-learning) is to use the learning of a function on one data set to learn a similar function on a new data set. In terms of function approximation, this means lifting a function on one data space (the base data space) to another (the target data space). This viewpoint enables us to connect some inverse problems in applied mathematics (such as inverse Radon transform) with transfer learning. In this paper we examine the question of such lifting when the data is assumed to be known only on a part of the base data space. We are interested in determining subsets of the target data space on which the lifting can be defined, and how the local smoothness of the function and its lifting are related.  ( 2 min )

Given a matrix $A\in \mathbb{R}^{n\times d}$ and a vector $b\in \mathbb{R}^n$, we consider the regression problem with $\ell_\infty$ guarantees: finding a vector $x'\in \mathbb{R}^d$ such that $ \|x'-x^*\|_\infty \leq \frac{\epsilon}{\sqrt{d}}\cdot \|Ax^*-b\|_2\cdot \|A^\dagger\|$ where $x^*=\arg\min_{x\in \mathbb{R}^d}\|Ax-b\|_2$. One popular approach for solving such $\ell_2$ regression problem is via sketching: picking a structured random matrix $S\in \mathbb{R}^{m\times n}$ with $m\ll n$ and $SA$ can be quickly computed, solve the ``sketched'' regression problem $\arg\min_{x\in \mathbb{R}^d} \|SAx-Sb\|_2$. In this paper, we show that in order to obtain such $\ell_\infty$ guarantee for $\ell_2$ regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with $m=\epsilon^{-2}d\log^3(n/\delta)$ such that solving the sketched regression problem gives the $\ell_\infty$ guarantee, with probability at least $1-\delta$. Moreover, the matrix $SA$ can be computed in time $O(nd\log n)$. Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in $d$ rows, $m=\Omega(\epsilon^{-2}d^{1+\gamma})$ for $\gamma=\Theta(\sqrt{\frac{\log\log n}{\log d}})$ is required. We also develop a novel analytical framework for $\ell_\infty$ guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.  ( 2 min )

In deep learning, often the training process finds an interpolator (a solution with 0 training loss), but the test loss is still low. This phenomenon, known as benign overfitting, is a major mystery that received a lot of recent attention. One common mechanism for benign overfitting is implicit regularization, where the training process leads to additional properties for the interpolator, often characterized by minimizing certain norms. However, even for a simple sparse linear regression problem $y = \beta^{*\top} x +\xi$ with sparse $\beta^*$, neither minimum $\ell_1$ or $\ell_2$ norm interpolator gives the optimal test loss. In this work, we give a different parametrization of the model which leads to a new implicit regularization effect that combines the benefit of $\ell_1$ and $\ell_2$ interpolators. We show that training our new model via gradient descent leads to an interpolator with near-optimal test loss. Our result is based on careful analysis of the training dynamics and provides another example of implicit regularization effect that goes beyond norm minimization.  ( 2 min )

Classical quickest change detection algorithms require modeling pre-change and post-change distributions. Such an approach may not be feasible for various machine learning models because of the complexity of computing the explicit distributions. Additionally, these methods may suffer from a lack of robustness to model mismatch and noise. This paper develops a new variant of the classical Cumulative Sum (CUSUM) algorithm for the quickest change detection. This variant is based on Fisher divergence and the Hyv\"arinen score and is called the Score-based CUSUM (SCUSUM) algorithm. The SCUSUM algorithm allows the applications of change detection for unnormalized statistical models, i.e., models for which the probability density function contains an unknown normalization constant. The asymptotic optimality of the proposed algorithm is investigated by deriving expressions for average detection delay and the mean running time to a false alarm. Numerical results are provided to demonstrate the performance of the proposed algorithm.  ( 2 min )

We exploit analogies between first-order algorithms for constrained optimization and non-smooth dynamical systems to design a new class of accelerated first-order algorithms for constrained optimization. Unlike Frank-Wolfe or projected gradients, these algorithms avoid optimization over the entire feasible set at each iteration. We prove convergence to stationary points even in a nonconvex setting and we derive rates for the convex setting. An important property of these algorithms is that constraints are expressed in terms of velocities instead of positions, which naturally leads to sparse, local and convex approximations of the feasible set (even if the feasible set is nonconvex). Thus, the complexity tends to grow mildly in the number of decision variables and in the number of constraints, which makes the algorithms suitable for machine learning applications. We apply our algorithms to a compressed sensing and a sparse regression problem, showing that we can treat nonconvex $\ell^p$ constraints ($p<1$) efficiently, while recovering state-of-the-art performance for $p=1$.  ( 2 min )

The study of Neural Tangent Kernels (NTKs) has provided much needed insight into convergence and generalization properties of neural networks in the over-parametrized (wide) limit by approximating the network using a first-order Taylor expansion with respect to its weights in the neighborhood of their initialization values. This allows neural network training to be analyzed from the perspective of reproducing kernel Hilbert spaces (RKHS), which is informative in the over-parametrized regime, but a poor approximation for narrower networks as the weights change more during training. Our goal is to extend beyond the limits of NTK toward a more general theory. We construct an exact power-series representation of the neural network in a finite neighborhood of the initial weights as an inner product of two feature maps, respectively from data and weight-step space, to feature space, allowing neural network training to be analyzed from the perspective of reproducing kernel {\em Banach} space (RKBS). We prove that, regardless of width, the training sequence produced by gradient descent can be exactly replicated by regularized sequential learning in RKBS. Using this, we present novel bound on uniform convergence where the iterations count and learning rate play a central role, giving new theoretical insight into neural network training.  ( 2 min )

Generative models can have distinct mode of failures like mode dropping and low quality samples, which cannot be captured by a single scalar metric. To address this, recent works propose evaluating generative models using precision and recall, where precision measures quality of samples and recall measures the coverage of the target distribution. Although a variety of discrepancy measures between the target and estimated distribution are used to train generative models, it is unclear what precision-recall trade-offs are achieved by various choices of the discrepancy measures. In this paper, we show that achieving a specified precision-recall trade-off corresponds to minimising -divergences from a family we call the {\em PR-divergences }. Conversely, any -divergence can be written as a linear combination of PR-divergences and therefore correspond to minimising a weighted precision-recall trade-off. Further, we propose a novel generative model that is able to train a normalizing flow to minimise any -divergence, and in particular, achieve a given precision-recall trade-off.  ( 2 min )

In this paper, we perform deep neural networks for learning $\psi$-weakly dependent processes. Such weak-dependence property includes a class of weak dependence conditions such as mixing, association,$\cdots$ and the setting considered here covers many commonly used situations such as: regression estimation, time series prediction, time series classification,$\cdots$ The consistency of the empirical risk minimization algorithm in the class of deep neural networks predictors is established. We achieve the generalization bound and obtain a learning rate, which is less than $\mathcal{O}(n^{-1/\alpha})$, for all $\alpha > 2 $. Applications to binary time series classification and prediction in affine causal models with exogenous covariates are carried out. Some simulation results are provided, as well as an application to the US recession data.  ( 2 min )

In many industrial applications, obtaining labeled observations is not straightforward as it often requires the intervention of human experts or the use of expensive testing equipment. In these circumstances, active learning can be highly beneficial in suggesting the most informative data points to be used when fitting a model. Reducing the number of observations needed for model development alleviates both the computational burden required for training and the operational expenses related to labeling. Online active learning, in particular, is useful in high-volume production processes where the decision about the acquisition of the label for a data point needs to be taken within an extremely short time frame. However, despite the recent efforts to develop online active learning strategies, the behavior of these methods in the presence of outliers has not been thoroughly examined. In this work, we investigate the performance of online active linear regression in contaminated data streams. Our study shows that the currently available query strategies are prone to sample outliers, whose inclusion in the training set eventually degrades the predictive performance of the models. To address this issue, we propose a solution that bounds the search area of a conditional D-optimal algorithm and uses a robust estimator. Our approach strikes a balance between exploring unseen regions of the input space and protecting against outliers. Through numerical simulations, we show that the proposed method is effective in improving the performance of online active learning in the presence of outliers, thus expanding the potential applications of this powerful tool.  ( 2 min )

Large transformers are powerful architectures for self-supervised analysis of data of various nature, ranging from protein sequences to text to images. In these models, the data representation in the hidden layers live in the same space, and the semantic structure of the dataset emerges by a sequence of functionally identical transformations between one representation and the next. We here characterize the geometric and statistical properties of these representations, focusing on the evolution of such proprieties across the layers. By analyzing geometric properties such as the intrinsic dimension (ID) and the neighbor composition we find that the representations evolve in a strikingly similar manner in transformers trained on protein language tasks and image reconstruction tasks. In the first layers, the data manifold expands, becoming high-dimensional, and then it contracts significantly in the intermediate layers. In the last part of the model, the ID remains approximately constant or forms a second shallow peak. We show that the semantic complexity of the dataset emerges at the end of the first peak. This phenomenon can be observed across many models trained on diverse datasets. Based on these observations, we suggest using the ID profile as an unsupervised proxy to identify the layers which are more suitable for downstream learning tasks.  ( 2 min )

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Hello, I am currently in Highschool and we have a Project Year in computer science. I recently got really interested in AI and especially AI's that are able to learn how to play a specific game. You may or may not know Vedal987 but I am taking huge inspiration from him on how his AI "Neuro-sama" is able to play osu! I want to do something similar with the same game but, I really am a beginner with AI's of that kind so I wanted to ask if you have any learning materials for me or guides on how to start and all the stuff that I could need to actually execute my plan (and if it even is possible within a year) I am an expert in Python (also good in Java and Javascript), I can code and stuff but have no clue how to start out since I've never done this. Thanks in advance :) (feel free to ask me if you dont understand something, i am bad in expressing myself) submitted by /u/iLeg1999 [link] [comments]  ( 41 min )

Hey folks! 👋 I am Ed, one of the creators of Toucan. Super excited to share what we've been working on 👇 Toucan is a mobile app that helps you get the most out of GPT-3 “on the go” – with a slick mobile UX, powerful wrap-around features and fine-tuned models. If you're keen to learn a bit more about our journey, you can read on below, of if you just want to throw your best queries at GPT, you can download Toucan on the App Store, here: https://apps.apple.com/us/app/toucan-ai-chatbot-assistant/id1665298806 🧩 Our story We started Toucan to make engaging with cutting-edge AI on mobile devices a vastly better experience. No more browser hopping, endless auth challenges, conversation loss or clunky UI interactions. We’ve also built handy supporting functionalities around the AI layer (s…  ( 42 min )

Link - https://github.com/ClerkieAI/berri_ai We made a package that makes it easy for you to quickly deploy your LLM Agent from Google Colab to production (Web App and API Endpoint). How it works? Just install the package, import the function, and run deploy. At the end of the deploy (~10-15mins), you will get: A web app to interact with your agent 👉 https://agent-repo-35aa2cf3-a0a1-4cf8-834f-302e5b7fe07e-4524... An endpoint you can query 👉 https://agent-repo-35aa2cf3-a0a1-4cf8-834f-302e5b7fe07e-4524... is obama?" Want a more detailed walkthrough? Check out our loom - https://www.loom.com/share/fd4375b4a77f4ea7802369cb06a16d43 We’re still early so would love your feedback and opinions. Feel free to try us out for free – and if you need help building an agent / want a specific integration, just let us know! https://i.redd.it/xu6a92464ufa1.gif submitted by /u/VideoTo [link] [comments]  ( 41 min )

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I'm wondering if such a thing exists. Say I have the word "Eyeball" or anything at all. I want to find a font that makes the word "Eyeball" look good, while adding parameters such as - professional, business like, etc - possibly aiding in its suggestions. I already have been using Chat GPT to create concepts with font suggestions, but it would be neat if there was a dedicated tool for this. Is there currently any AI out there that can do that? submitted by /u/Pinkisacoloryes [link] [comments]  ( 41 min )

Ive heard of all types of ai but is there one every conceived of helping you learn fast and quicker? submitted by /u/mrmaskfawkes [link] [comments]  ( 41 min )

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Hey reddit, I'm a student that is taking part in a contest focusing on banned works of art, and the relationship between art and society. After trying my hand at Chat GPT and DALLE2 I've spurred an idea for the topic of this contest. A couple details, the contest is in the form of a comic book page, it's surrounding the themes of obscenity, libel, codes, copyrights, etc. I was considering using AI as the subject matter considering the recent controversies surrounding this new technology. Questions such as whose art is it? The person using the technology, or the person owning it? Is it copyrightable considering it's fed data based on previous artists work? I'm relatively new to this space other than witnessing peoples uses on various social media. So given that, my idea was to have Chat GPT generate a fictional story surrounding the relationship of society and art, tweaking until I have something that can be applied into a comic book form, then feeding parameters into DALLE2 to create comic book panels. Given the controversial nature of utilizing AI for school related essays, homework, etc I was curious what this community thinks of this idea? I felt like it was one two punch, utilizing new technology to create artwork that's relevant to the topic at hand and also has the potential to be "banned" so to speak from participating in the contest. submitted by /u/KylesButler [link] [comments]  ( 42 min )

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I've been working on a project that uses the OpenAI API to create a friend/counselor bot. The goal of this bot is to provide emotional support and have meaningful conversations about a variety of topics including work, relationships, emotions, health, and more. If you're interested, you can check out the demo of the bot at https://friendbot.ai. I'm looking for alpha testers to help me improve the features such as handling long interactions, sematics etc. Participation in the experiment is anonymous and no data about interactions are stored on the servers. submitted by /u/M-K111 [link] [comments]  ( 41 min )

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Yandex(Russian search engine),Google,Bing and Baidu race to release chatbots as replacement for traditional search. Here is what I think will happen: Most websites will die out. Why?You don't need 10000 recipe websites.You need culinary Wikipedia.And a chatbot to query it.99% percent of recipes are not unique.Culinary theory is pretty established.They can be condensed into branching stricture.e.g. Pasta with tomatoes.Pasta with cheese. Plumbing.Pretty much the same. Programming.All you need is documentation pretty much.You can even analyse open source projects and generate documentation on the fly.Tutorials and best practices can be condensed. News.I was thinking about extracting news from data collected from ambient computing.E.g. Google develops new feature.News article is generated from Todo lists,meeting notes,code.But it's too far out for now. And list goes on and on. You need 100 Wikipedia to contain all human knowledge.And even if websites will refuse to cooperate it doesn't matter.There is plenty of copies of the web. submitted by /u/nikitastaf1996 [link] [comments]  ( 44 min )

Hello! Does anyone know of a decent scholarly article on something relevant to this that they could share with me? ​ Thanks! :) submitted by /u/EvilPeppermintHelix [link] [comments]  ( 40 min )

There are numerous amazing AI-powered software/programs available, such as Wave2Lip on GitHub (which enables you to lip sync a video to any voice audio file), CascadeOur (which generates AI animations), or Google Film (which creates a seamless slow-motion effect from two distant frames). These programs possess tremendous potential, but how can I discover new ones? I'm sure there are many more out there that I am not aware of. Can you suggest any tips on how I can find them? submitted by /u/PM_ME_LIFE_MEANING [link] [comments]  ( 41 min )

Suppose you need to optimize, i.e. maximize or minimize, a function f(x). If this is a practical problem and not a textbook exercise, you probably need to optimize f(x) subject to some constraint on x, say g(x) = 0. Hmm. Optimize one function subject to a constraint given by another function. Oh yeah, Lagrange multipliers! […] Lagrange multiplier setup: Now what? first appeared on John D. Cook.  ( 6 min )

Today, the NFL is continuing their journey to increase the number of statistics provided by the Next Gen Stats Platform to all 32 teams and fans alike. With advanced analytics derived from machine learning (ML), the NFL is creating new ways to quantify football, and to provide fans with the tools needed to increase their […]  ( 10 min )

The National Football League (NFL) is one of the most popular sports leagues in the United States and is the most valuable sports league in the world. The NFL, BioCore, and AWS are committed to advancing human understanding around the diagnosis, prevention, and treatment of sports-related injuries to make the game of football safer. More […]  ( 10 min )

Posted by Phitchaya Mangpo Phothilimthana, Staff Research Scientist, and Adam Paszke, Staff Research Scientist, Google Research (This is Part 3 in our series of posts covering different topical areas of research at Google. You can find other posts in the series here.) Great machine learning (ML) research requires great systems. With the increasing sophistication of the algorithms and hardware in use today and with the scale at which they run, the complexity of the software necessary to carry out day-to-day tasks only increases. In this post, we provide an overview of the numerous advances made across Google this past year in systems for ML that enable us to support the serving and training of complex models while easing the complexity of implementation for end users. This b…  ( 97 min )

Posted by Xingyou (Richard) Song, Research Scientist, and Chansoo Lee, Software Engineer, Google Research, Brain Team Google Vizier is the de-facto system for blackbox optimization over objective functions and hyperparameters across Google, having serviced some of Google’s largest research efforts and optimized a wide range of products (e.g., Search, Ads, YouTube). For research, it has not only reduced language model latency for users, designed computer architectures, accelerated hardware, assisted protein discovery, and enhanced robotics, but also provided a reliable backend interface for users to search for neural architectures and evolve reinforcement learning algorithms. To operate at the scale of optimizing thousands of users’ critical systems and tuning millions of machine learning…  ( 91 min )

I know it looks like a very absurd comparison. The reason why I ask this is because I'm taking a masters of ML(that wasn't exactly cheap) and while the basic concepts are covered in the mandatory path, now I have to choose an elective, in this case between "Bayesian Methods" and "Reinforcement Learning". So what I'd like to ask you is which of both concepts/techniques are more used or relevant to work in the Data Science industry, meaning which one is going to help me more in that job or make a more positive impression in my resume. Thx in advance! submitted by /u/fuscarili [link] [comments]  ( 46 min )

Hi, I am working on project and for that I need a Twitter Domestic Violence Dataset. Basically I need a dataset with domestic violence tweets against woman. I have searched Kaggle and other websites but found no luck. Plus, I tried using Snscrape, but I need some phrases ideas related to domestic violence so I can get some tweets using that. I tried "Domestic Violence" , "My husband tried to kill me" and looking for more. Help is appreciated. submitted by /u/Naive-Aioli4849 [link] [comments]  ( 43 min )

Hi! Does anyone here have experience working as a workflow chair for major conferences? What are the duties and how much does it pay? (I heard that it's a paid role) submitted by /u/Expensive-Track [link] [comments]  ( 42 min )

Hi friends! I ran into this problem enough times at my last few jobs that I built a tool to solve it. I spent many hours building Docker containers for my Python functions, as many of the data science modules required building C libraries (since they significantly speed up compute-intensive routines, such as math calculations). Deploying the containers to AWS Lambda or Fargate (if the processes required more CPU or memory or were >15 minutes) and wiring functions to talk to each other using queues, databases, and blob storage made iterating on the actual code, which wasn't even that complex most of the time, slow. I made cakework https://github.com/usecakework/cakework, a platform that lets you spin up your Python functions as serverless, production-scale backends with a single command. Using the client SDK, you submit requests, check status, and get results. You can also specify the amount of CPU (up to 16 cores) and memory (up to 128GB) for each individual request, which is helpful when your data size and complexity varies across different requests. A common pattern that I built cakework for is doing file processing for ML: - ingest data from some source daily, or in response to an external event (data written to blob storage) - run my function (often using pandas/numpy/scipy) - write results to storage, update database - track failures and re-run/fix It's open source <3. Here are some fun examples to get you started: https://docs.cakework.com/examples Would love to hear your thoughts! submitted by /u/seattleite849 [link] [comments]  ( 47 min )

I have traffic speed time series data for each day of the week over several months, with data samples about every 30 seconds. I'd like to find periods of time (subsequences) where the speed is much slower than usual. Any recommendations for algorithms that would be well suited to this problem? Thanks submitted by /u/dudester_el [link] [comments]  ( 44 min )

Are there tools or techniques that permit you to joint query using more than one query vector? Use case: iterative ANN search refinement, where I start with a seed vector, select matches, and re-query with more examples to improve the search results. I tried doing this with FAISS, but it performs a "batch query" that returns a separate set of results for each query vector (not a joint query). submitted by /u/mostlyhydrogen [link] [comments]  ( 42 min )

I know they can affect linear regression badly but given the fact that neural net and tree-based models can approximate non-linear complex functions, I don't think the high leverage points would be a problem. Just curious about your opinion whether my thinking makes sense submitted by /u/Temporary_Cap_2855 [link] [comments]  ( 43 min )

For ImageNet classification, there are two common ways of normalizing the input images: - Normalize to [-1, 1] using an affine transformation (2*(x/255) - 1). - Normalize using ImageNet mean = (0.485, 0.456, 0.406) and std = (0.229, 0.224, 0.225). I observe that the first one is more common in TensorFlow codebases (including Jax models with TensorFlow data processing, e.g. the official Vision Transformers code), whereas the second is ubiquitous in PyTorch codebases. I tried to find empirical comparisons of the two, but there doesn't seem to be any. Which one is better in your opinion? I guess the performance shouldn't be too different, but still it's interesting to hear your experience. submitted by /u/netw0rkf10w [link] [comments]  ( 44 min )

Hello people, I am currently attending a Data Science course and to finish I have to write a paper about a project that I am currently working on. I write the code in VSCode and I use .ipynb notebooks. So I am basically training a few ML models after a long data preprocessing which worked out fine. But as soon as I run my hyperparameter tuning code, my PC takes a lot of time. Right now I am running hyperparameter tuning for RandomForest and it already runs for 21 hours. Is there any possibility for me to run my code somewhere else? I read abour Heroku, but that seems to be too much than what I am looking for. I am getting a bit nervous, because I want to get this paper done. The worst case is that I have to buy a new PC. Thank you so much! submitted by /u/Emergency-Dig-5262 [link] [comments]  ( 45 min )

Official blog post: https://www.microsoft.com/en-us/microsoft-365/blog/2023/02/01/microsoft-teams-premium-cut-costs-and-add-ai-powered-productivity/ Given the amount of money they pumped into OpenAI, it's not surprising that you'd see it integrated into their products. I do wonder how this will work in highly regulated fields (finance, law, medicine, education). submitted by /u/bikeskata [link] [comments]  ( 47 min )

Aligned LLMs such as InstructGPT and ChatGPT are trained via supervised fine-tuning after the initial self-supervised pretraining. Then, the researchers train a reward model on responses ranked by humans. When I understand correctly, they let the LLM generate responses that humans have to rank on a scale from 1-5. Then, they train a reward model (I suppose in supervised fashion?) on these ranked outputs. Once that's done, they use reinforcement learning (RL) with proximal policy optimization (PPO) to update the LLM. My question is why they use RL with PPO for this last step? Why don't they fine-tune the LLM using regular supervised learning, whereas the human-ranked outputs represent the labels. Since these are labels in the range 1-5, this could be a ranking or ordinal regression loss for supervised learning. submitted by /u/alpha-meta [link] [comments]  ( 47 min )

Hi colleagues! I am working on a model for which I have a dataset consisting of 2 data sources. Problem is that one datastream starts in 2017 and the other only in 2022. Feature spaces from those 2 data streams are different. I am wondering if there is a methodology to follow which allows me to use both data streams for training even though one starts way later than the other. Or am I forced to drop the newer one? (just 2022 data from two sources is too small for me to train on) Thank you! submitted by /u/pahalie [link] [comments]  ( 43 min )

I wanted to use the Learnable Trainangulation model in a commercial project. The source code itself is under MIT licensing. However, the dataset they have used is Human3.6M, which states that the license is "FREE OF CHARGE FOR ACADEMIC USE ONLY". Yet, recent court rulings (in the US) state that models can use copyrighted data during training, and the results are no longer bound by that copyright (e.g. Google Books). Does the same apply here? submitted by /u/mfarahmand98 [link] [comments]  ( 42 min )

I've recently started reading up on classical ML and I got a question about K-Means. More concretely, I am confused about the uniqueness of the global optimal solution of K-Means's cost function. Let's state the problem formally below, extracted from Bishop's Pattern Recognition and Machine Learning book, exercise 9.1. Consider the 𝐾-means algorithm discussed in Section 9.1. Show that as a consequence of there being a finite number of possible assignments for the set of discrete indicator variables 𝑟𝑛𝑘, and that for each such assignment there is a unique optimum for the 𝝁𝑘, the K-means algorithm must converge after a finite number of iterations. I made an answer [here](https://stats.stackexchange.com/questions/603327/question-on-the-proof-of-convergence-of-k-means) detailing the proof of why it does converge in Lloyd's algorithm, but I think I still do not understand why Lloyd's do not converge to a global minimum, which mathematical theorem/understanding am I missing here? I think that optimizing both the assignments and the centroids of K-Means at the same time is non-convex and hence there are many local minimums, we can use brute force to search for the global minimum but of course it is exponential to the number of data points. On the other hand, Lloyd optimizes it (greedily) alternatively, and hence you will find the cost functions' local minima (guaranteed)? submitted by /u/healthymonkey100 [link] [comments]  ( 45 min )

https://preview.redd.it/ut4us5251rfa1.png?width=2000&format=png&auto=webp&s=dbf79c3832b20287203faa97e5c1303472bdbc22 Currently, the UI supports a picture upload and uses InstructPix2Pix to edit it. Also, it uses upscaling models for quality enhancements. More models are coming soon. The goal is to provide a way for non-ML people to use diffusion-based image editing through simplistic app design. Web demo: https://diffground.com/ submitted by /u/radi-cho [link] [comments]  ( 43 min )

To clarify, I'm not talking about ChatGPT here. I've been testing outputs from GPT-3 davinci003 against alternatives in terms of output quality, relevance, and ability to understand "instruct" (versus vanilla autocompletion). I tried these: AI21 Jurassic 178B NeoX 20B GPT J 6B FairSeq 13B As well as: GPT-3 davinci002 GPT-3 davinci001 Of course, I didn't expect the smaller models to be on par with GPT-3, but I was surprised at how much better GPT3 davinci 003 performed compared to AI21's 178B model. AI21's Jurassic 178B seems to be comparable to GPT3 davinci 001. Does this mean that only well-funded corporations will be able to train general-purpose LLMs? It seems to me that just having a large model doesn't do much, it's also about several iterations of training and feedback. How are open source alternatives going to be able to compete? (I'm not in the ML or CS field, just an amateur who enjoys using these models) submitted by /u/noellarkin [link] [comments]  ( 45 min )

Any suggestion on sentence auto-encoder? I want to learn the vector representation of a sentence and reconstruct the sentence itself. I used plane LSTM with self attention in the encoder and decoder architecture (no cross attention) but the results are not that good enough. I can not use cross attention i.e decoder will not have access to all the outputs of encoder but only access to the bottleneck latent vector. BART have pre-trained in similar manner but I don't know if we can pre-train that model to fit my use case. This is just a module of other work, after pre-training the sentence-sentence auto-encoder, I need to add some more module in between them, so I should have encoder and decoder separable, which I think can not be done in BART as well. Any direction would be much appreciated. Thank you submitted by /u/Bishwa12 [link] [comments]  ( 43 min )

I'm using Huggingface's transformers regularly for experimentations, but I plan to deploy some of the models to iOS. I have found ml-ane-transformers repo from Apple, which shows how transformers can be rewritten to have much better performance on Apple's devices. There's an example of DistilBERT implemented in that optimized way. As I plan to deploy transformers to iOS, I started thinking about this. I'm hoping some already have experience about this, so we can discuss: Has anyone tried this themselves? Do they actually see the improvements in performance on iOS? I'm using Huggingface's transformer models in my experiments. How much work do you think there is to rewrite model in this optimized way? It's very difficult to train transformers from scratch (especially if they're big :) ), so I'm fine-tuning on top of pre-trained models on Huggingface. Is it possible to use weights from pretrained Huggingface models with the Apple's reference code? How difficult is it? submitted by /u/alkibijad [link] [comments]  ( 43 min )

I am searching for the best Reinforcement Learning Papers from the past 1-2 years. My special focus is on Communications, but as we all know a lot of approaches can be applied in different fields. I would appreciate any recommendations :) submitted by /u/GolemX14 [link] [comments]  ( 41 min )

I want to extend an implementation that currently uses stable baselines 3 from a single-agent into a multi-agent system. As far as I can tell, stable baselines isn't really suited for this. Does anyone have experience with multi-agent systems in stable baselines or with switching from stable baselines to RLlib? submitted by /u/tessherelurkingnow [link] [comments]  ( 41 min )

https://arxiv.org/abs/2302.00533 submitted by /u/OutOfCharm [link] [comments]  ( 41 min )

I am looking at the pseudocode for PPO given in SpinningUp over here - ​ https://preview.redd.it/sx3kx08k2pfa1.png?width=1013&format=png&auto=webp&s=85511fe4cccda77975bd4731558f3936c9f5f522 ​ I understand that $\theta_k$ are the old weights. I am a little lost regarding the weight $\theta$. Is this the new weight? ​ Here is what I guess is happening (I could be completely wrong) - PPO is based on a generic Actor Critic Algorithm Therefore the new weight $\theta$ is learned as per conventional A-C algorithms The old weights $\theta_k$ and new weights $\theta$ are stored and then used in the clip objective The clip objective uses these 2 weights to come up with $\theta_{k+1}$ submitted by /u/Academic-Rent7800 [link] [comments]  ( 43 min )

I'm new to ML/RL and trying to build some intuition on how the fancy algorithms are made useful in practice. So far I was surprised how pairing SB3 + a gym environment frequently does nothing unless the right parameters are hit. So I've written a trivial mock environment: it "thinks" of a random target floating point number between -1 and 1 and a random state number in the same range. The observation (-2 to 2) is the difference between both. The (continous -1 to 1) action is added to the state The reward is the absolute value of the distance between current state and the target times -1, with a little negative bit added to "make the life painful" and enforce finishing Done is signaled once converged within 0.001, which is achievable within 1 to max. 2 steps depending on the reset state. So my thinking is: this is as easy as it gets - it does not matter how the algorithm explores or what it sees, the input to output relation is always exactly same. The actor simply needs to learn to forward the input to the output, which is seen learnable from every possible action. So it should train instantly with almost random choices of most hyperparameters - reward discount would not really matter, neither would most of the others, right? (I use PPO from SB3.) Yet I almost could not get it to work: it would behave wildly different with different n_env*n_steps sizes, learning and randomly unlearning again even with small learning_rates set. The cases I could find that work manually would take total_timesteps in a range of millions to finish consistently, and even then they would finish mostly in 2-4 steps rather then 1-2 in evaluation. Is such a problem really such sensitive or am I doing it wrong? Is there a way to actually train it within 10000s rather then millions of steps with PPO and if so, how to find from the train metrics? How could it be improved to converge more precisely? For anyone wanting to play around, code is attached below. submitted by /u/EvilButFluffy [link] [comments]  ( 45 min )

Cheers to another year of cloud gaming! GeForce NOW celebrates its third anniversary with a look at how far cloud gaming has come, a community celebration and 25 new games supported in February. Members can celebrate all month long, starting with a sweet Dying Light 2 reward and support for nine more games this week, Read article >  ( 7 min )

NVIDIA A100 Tensor Core GPUs running on Supermicro servers have captured leading results for inference in the latest STAC-ML Markets benchmark, a key technology performance gauge for the financial services industry. The results show NVIDIA demonstrating unrivaled throughput — serving up thousands of inferences per second on the most demanding models — and top latency Read article >  ( 6 min )

For several years, NVIDIA has been working with some of the world’s leading financial institutions to develop and execute a wide range of rapidly evolving AI strategies. For the past three years, we’ve asked them to tell us collectively what’s on the top of their minds. Sometimes the results are just what we thought they’d Read article >  ( 6 min )

We propose a new stochastic primal-dual optimization algorithm for planning in a large discounted Markov decision process with a generative model and linear function approximation. Assuming that the feature map approximately satisfies standard realizability and Bellman-closedness conditions and also that the feature vectors of all state-action pairs are representable as convex combinations of a small core set of state-action pairs, we show that our method outputs a near-optimal policy after a polynomial number of queries to the generative model. Our method is computationally efficient and comes with the major advantage that it outputs a single softmax policy that is compactly represented by a low-dimensional parameter vector, and does not need to execute computationally expensive local planning subroutines in runtime.

Score-based generative models learn a family of noise-conditional score functions corresponding to the data density perturbed with increasingly large amounts of noise. These perturbed data densities are tied together by the Fokker-Planck equation (FPE), a partial differential equation (PDE) governing the spatial-temporal evolution of a density undergoing a diffusion process. In this work, we derive a corresponding equation, called the score FPE that characterizes the noise-conditional scores of the perturbed data densities (i.e., their gradients). Surprisingly, despite impressive empirical performance, we observe that scores learned via denoising score matching (DSM) do not satisfy the underlying score FPE. We prove that satisfying the FPE is desirable as it improves the likelihood and the degree of conservativity. Hence, we propose to regularize the DSM objective to enforce satisfaction of the score FPE, and we show the effectiveness of this approach across various datasets.

Most reinforcement learning algorithms take advantage of an experience replay buffer to repeatedly train on samples the agent has observed in the past. Not all samples carry the same amount of significance and simply assigning equal importance to each of the samples is a na\"ive strategy. In this paper, we propose a method to prioritize samples based on how much we can learn from a sample. We define the learn-ability of a sample as the steady decrease of the training loss associated with this sample over time. We develop an algorithm to prioritize samples with high learn-ability, while assigning lower priority to those that are hard-to-learn, typically caused by noise or stochasticity. We empirically show that our method is more robust than random sampling and also better than just prioritizing with respect to the training loss, i.e. the temporal difference loss, which is used in prioritized experience replay.

Though denoising diffusion probabilistic models (DDPMs) have achieved remarkable generation results, the low sampling efficiency of DDPMs still limits further applications. Since DDPMs can be formulated as diffusion ordinary differential equations (ODEs), various fast sampling methods can be derived from solving diffusion ODEs. However, we notice that previous sampling methods with fixed analytical form are not robust with the error in the noise estimated from pretrained diffusion models. In this work, we construct an error-robust Adams solver (ERA-Solver), which utilizes the implicit Adams numerical method that consists of a predictor and a corrector. Different from the traditional predictor based on explicit Adams methods, we leverage a Lagrange interpolation function as the predictor, which is further enhanced with an error-robust strategy to adaptively select the Lagrange bases with lower error in the estimated noise. Experiments on Cifar10, LSUN-Church, and LSUN-Bedroom datasets demonstrate that our proposed ERA-Solver achieves 5.14, 9.42, and 9.69 Fenchel Inception Distance (FID) for image generation, with only 10 network evaluations.

Recently, RNN-Transducers have achieved remarkable results on various automatic speech recognition tasks. However, lattice-free sequence discriminative training methods, which obtain superior performance in hybrid modes, are rarely investigated in RNN-Transducers. In this work, we propose three lattice-free training objectives, namely lattice-free maximum mutual information, lattice-free segment-level minimum Bayes risk, and lattice-free minimum Bayes risk, which are used for the final posterior output of the phoneme-based neural transducer with a limited context dependency. Compared to criteria using N-best lists, lattice-free methods eliminate the decoding step for hypotheses generation during training, which leads to more efficient training. Experimental results show that lattice-free methods gain up to 6.5% relative improvement in word error rate compared to a sequence-level cross-entropy trained model. Compared to the N-best-list based minimum Bayes risk objectives, lattice-free methods gain 40% - 70% relative training time speedup with a small degradation in performance.

With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful representations learned from datasets to speed up the formulation of novel hypotheses with the potential to impact material discovery broadly. We present the Generative Toolkit for Scientific Discovery (GT4SD). This extensible open-source library enables scientists, developers, and researchers to train and use state-of-the-art generative models to accelerate scientific discovery focused on material design.

Learning to reject (L2R) and out-of-distribution (OOD) detection are two classical problems, each of which involve detecting certain abnormal samples: in L2R, the goal is to detect "hard" samples on which to abstain, while in OOD detection, the goal is to detect "outlier" samples not drawn from the training distribution. Intriguingly, despite being developed in parallel literatures, both problems share a simple baseline: the maximum softmax probability (MSP) score. However, there is limited understanding of precisely how these problems relate. In this paper, we formally relate these problems, and show how they may be jointly solved. We first show that while MSP is theoretically optimal for L2R, it can be theoretically sub-optimal for OOD detection in some important practical settings. We then characterize the Bayes-optimal classifier for a unified formulation that generalizes both L2R and OOD detection. Based on this, we design a plug-in approach for learning to abstain on both inlier and OOD samples, while constraining the total abstention budget. Experiments on benchmark OOD datasets demonstrate that our approach yields competitive classification and OOD detection performance compared to baselines from both literatures.

Continuous pseudo-labeling (PL) algorithms such as slimIPL have recently emerged as a powerful strategy for semi-supervised learning in speech recognition. In contrast with earlier strategies that alternated between training a model and generating pseudo-labels (PLs) with it, here PLs are generated in end-to-end manner as training proceeds, improving training speed and the accuracy of the final model. PL shares a common theme with teacher-student models such as distillation in that a teacher model generates targets that need to be mimicked by the student model being trained. However, interestingly, PL strategies in general use hard-labels, whereas distillation uses the distribution over labels as the target to mimic. Inspired by distillation we expect that specifying the whole distribution (aka soft-labels) over sequences as the target for unlabeled data, instead of a single best pass pseudo-labeled transcript (hard-labels) should improve PL performance and convergence. Surprisingly and unexpectedly, we find that soft-labels targets can lead to training divergence, with the model collapsing to a degenerate token distribution per frame. We hypothesize that the reason this does not happen with hard-labels is that training loss on hard-labels imposes sequence-level consistency that keeps the model from collapsing to the degenerate solution. In this paper, we show several experiments that support this hypothesis, and experiment with several regularization approaches that can ameliorate the degenerate collapse when using soft-labels. These approaches can bring the accuracy of soft-labels closer to that of hard-labels, and while they are unable to outperform them yet, they serve as a useful framework for further improvements.

In graph learning, maps between graphs and their subgraphs frequently arise. For instance, when coarsening or rewiring operations are present along the pipeline, one needs to keep track of the corresponding nodes between the original and modified graphs. Classically, these maps are represented as binary node-to-node correspondence matrices and used as-is to transfer node-wise features between the graphs. In this paper, we argue that simply changing this map representation can bring notable benefits to graph learning tasks. Drawing inspiration from recent progress in geometry processing, we introduce a spectral representation for maps that is easy to integrate into existing graph learning models. This spectral representation is a compact and straightforward plug-in replacement and is robust to topological changes of the graphs. Remarkably, the representation exhibits structural properties that make it interpretable, drawing an analogy with recent results on smooth manifolds. We demonstrate the benefits of incorporating spectral maps in graph learning pipelines, addressing scenarios where a node-to-node map is not well defined, or in the absence of exact isomorphism. Our approach bears practical benefits in knowledge distillation and hierarchical learning, where we show comparable or improved performance at a fraction of the computational cost.

Batch reinforcement learning (RL) aims at finding an optimal policy in a dynamic environment in order to maximize the expected total rewards by leveraging pre-collected data. A fundamental challenge behind this task is the distributional mismatch between the batch data generating process and the distribution induced by target policies. Nearly all existing algorithms rely on the absolutely continuous assumption on the distribution induced by target policies with respect to the data distribution so that the batch data can be used to calibrate target policies via the change of measure. However, the absolute continuity assumption could be violated in practice, especially when the state-action space is large or continuous. In this paper, we propose a new batch RL algorithm without requiring absolute continuity in the setting of an infinite-horizon Markov decision process with continuous states and actions. We call our algorithm STEEL: SingulariTy-awarE rEinforcement Learning. Our algorithm is motivated by a new error analysis on off-policy evaluation, where we use maximum mean discrepancy, together with distributionally robust optimization, to characterize the error of off-policy evaluation caused by the possible singularity and to enable the power of model extrapolation. By leveraging the idea of pessimism and under some mild conditions, we derive a finite-sample regret guarantee for our proposed algorithm without imposing absolute continuity. Compared with existing algorithms, STEEL only requires some minimal data-coverage assumption and thus greatly enhances the applicability and robustness of batch RL. Extensive simulation studies and one real experiment on personalized pricing demonstrate the superior performance of our method when facing possible singularity in batch RL.

Two-sample testing tests whether the distributions generating two samples are identical. We pose the two-sample testing problem in a new scenario where the sample measurements (or sample features) are inexpensive to access, but their group memberships (or labels) are costly. We devise the first \emph{active sequential two-sample testing framework} that not only sequentially but also \emph{actively queries} sample labels to address the problem. Our test statistic is a likelihood ratio where one likelihood is found by maximization over all class priors, and the other is given by a classification model. The classification model is adaptively updated and then used to guide an active query scheme called bimodal query to label sample features in the regions with high dependency between the feature variables and the label variables. The theoretical contributions in the paper include proof that our framework produces an \emph{anytime-valid} $p$-value; and, under reachable conditions and a mild assumption, the framework asymptotically generates a minimum normalized log-likelihood ratio statistic that a passive query scheme can only achieve when the feature variable and the label variable have the highest dependence. Lastly, we provide a \emph{query-switching (QS)} algorithm to decide when to switch from passive query to active query and adapt bimodal query to increase the testing power of our test. Extensive experiments justify our theoretical contributions and the effectiveness of QS.

Understanding how convolutional neural networks (CNNs) can efficiently learn high-dimensional functions remains a fundamental challenge. A popular belief is that these models harness the local and hierarchical structure of natural data such as images. Yet, we lack a quantitative understanding of how such structure affects performance, e.g. the rate of decay of the generalisation error with the number of training samples. In this paper, we study deep CNNs in the kernel regime. First, we show that the spectrum of the corresponding kernel inherits the hierarchical structure of the network, and we characterise its asymptotics. Then, we use this result together with generalisation bounds to prove that deep CNNs adapt to the spatial scale of the target function. In particular, we find that if the target function depends on low-dimensional subsets of adjacent input variables, then the rate of decay of the error is controlled by the effective dimensionality of these subsets. Conversely, if the target function depends on the full set of input variables, then the error rate is inversely proportional to the input dimension. We conclude by computing the rate when a deep CNN is trained on the output of another deep CNN with randomly-initialised parameters. Interestingly, we find that, despite their hierarchical structure, the functions generated by deep CNNs are too rich to be efficiently learnable in high dimension.

Consider the problem of estimating the causal effect of some attribute of a text document; for example: what effect does writing a polite vs. rude email have on response time? To estimate a causal effect from observational data, we need to adjust for confounding aspects of the text that affect both the treatment and outcome -- e.g., the topic or writing level of the text. These confounding aspects are unknown a priori, so it seems natural to adjust for the entirety of the text (e.g., using a transformer). However, causal identification and estimation procedures rely on the assumption of overlap: for all levels of the adjustment variables, there is randomness leftover so that every unit could have (not) received treatment. Since the treatment here is itself an attribute of the text, it is perfectly determined, and overlap is apparently violated. The purpose of this paper is to show how to handle causal identification and obtain robust causal estimation in the presence of apparent overlap violations. In brief, the idea is to use supervised representation learning to produce a data representation that preserves confounding information while eliminating information that is only predictive of the treatment. This representation then suffices for adjustment and can satisfy overlap. Adapting results on non-parametric estimation, we find that this procedure is robust to conditional outcome misestimation, yielding a low-bias estimator with valid uncertainty quantification under weak conditions. Empirical results show strong improvements in bias and uncertainty quantification relative to the natural baseline.

Vision Transformer (ViT) has recently gained significant interest in solving computer vision (CV) problems due to its capability of extracting informative features and modeling long-range dependencies through the self-attention mechanism. To fully realize the advantages of ViT in real-world applications, recent works have explored the trustworthiness of ViT, including its robustness and explainability. However, another desiderata, fairness has not yet been adequately addressed in the literature. We establish that the existing fairness-aware algorithms (primarily designed for CNNs) do not perform well on ViT. This necessitates the need for developing our novel framework via Debiased Self-Attention (DSA). DSA is a fairness-through-blindness approach that enforces ViT to eliminate spurious features correlated with the sensitive attributes for bias mitigation. Notably, adversarial examples are leveraged to locate and mask the spurious features in the input image patches. In addition, DSA utilizes an attention weights alignment regularizer in the training objective to encourage learning informative features for target prediction. Importantly, our DSA framework leads to improved fairness guarantees over prior works on multiple prediction tasks without compromising target prediction performance

We investigate unbiased high-dimensional mean estimators in differential privacy. We consider differentially private mechanisms whose expected output equals the mean of the input dataset, for every dataset drawn from a fixed convex domain $K$ in $\mathbb{R}^d$. In the setting of concentrated differential privacy, we show that, for every input such an unbiased mean estimator introduces approximately at least as much error as a mechanism that adds Gaussian noise with a carefully chosen covariance. This is true when the error is measured with respect to $\ell_p$ error for any $p \ge 2$. We extend this result to local differential privacy, and to approximate differential privacy, but for the latter the error lower bound holds either for a dataset or for a neighboring dataset. We also extend our results to mechanisms that take i.i.d.~samples from a distribution over $K$ and are unbiased with respect to the mean of the distribution.

Vertical federated learning (VFL) allows an active party with labeled feature to leverage auxiliary features from the passive parties to improve model performance. Concerns about the private feature and label leakage in both the training and inference phases of VFL have drawn wide research attention. In this paper, we propose a general privacy-preserving vertical federated deep learning framework called FedPass, which leverages adaptive obfuscation to protect the feature and label simultaneously. Strong privacy-preserving capabilities about private features and labels are theoretically proved (in Theorems 1 and 2). Extensive experimental result s with different datasets and network architectures also justify the superiority of FedPass against existing methods in light of its near-optimal trade-off between privacy and model performance.

Personalization and decentralization are two major lines of studies to realize practical federated learning in the real world. The aim of this study is to establish a general and unified approach that can solve these two problems simultaneously. In this work, we first propose a bilevel problem that can adapt to various personalization scenarios by allowing an arbitrary choice of two parameters: a client-wise outer-parameter representing heterogeneity, and a shared inner-parameter representing homogeneity across client data distributions. We then present an algorithm that can solve this bilevel problem in a decentralized manner by estimating gradients of clients' outer-costs with respect to their outer-parameters. We show that the proposed algorithm can be extended to handle a random directed network, which is one of the most robust decentralized communication classes. The proposed method achieves state-of-the-art performance on a personalization benchmark across various communication settings.

Deep Q-learning based algorithms have been applied successfully in many decision making problems, while their theoretical foundations are not as well understood. In this paper, we study a Fitted Q-Iteration with two-layer ReLU neural network parameterization, and find the sample complexity guarantees for the algorithm. Our approach estimates the Q-function in each iteration using a convex optimization problem. We show that this approach achieves a sample complexity of $\tilde{\mathcal{O}}(1/\epsilon^{2})$, which is order-optimal. This result holds for a countable state-spaces and does not require any assumptions such as a linear or low rank structure on the MDP.

ChatGPT has the ability to generate grammatically flawless and seemingly-human replies to different types of questions from various domains. The number of its users and of its applications is growing at an unprecedented rate. Unfortunately, use and abuse come hand in hand. In this paper, we study whether a machine learning model can be effectively trained to accurately distinguish between original human and seemingly human (that is, ChatGPT-generated) text, especially when this text is short. Furthermore, we employ an explainable artificial intelligence framework to gain insight into the reasoning behind the model trained to differentiate between ChatGPT-generated and human-generated text. The goal is to analyze model's decisions and determine if any specific patterns or characteristics can be identified. Our study focuses on short online reviews, conducting two experiments comparing human-generated and ChatGPT-generated text. The first experiment involves ChatGPT text generated from custom queries, while the second experiment involves text generated by rephrasing original human-generated reviews. We fine-tune a Transformer-based model and use it to make predictions, which are then explained using SHAP. We compare our model with a perplexity score-based approach and find that disambiguation between human and ChatGPT-generated reviews is more challenging for the ML model when using rephrased text. However, our proposed approach still achieves an accuracy of 79%. Using explainability, we observe that ChatGPT's writing is polite, without specific details, using fancy and atypical vocabulary, impersonal, and typically it does not express feelings.

Does the dominant approach to learn representations (as a side effect of optimizing an expected cost for a single training distribution) remain a good approach when we are dealing with multiple distributions? Our thesis is that such scenarios are better served by representations that are richer than those obtained with a single optimization episode. We support this thesis with simple theoretical arguments and with experiments utilizing an apparently na\"{\i}ve ensembling technique: concatenating the representations obtained from multiple training episodes using the same data, model, algorithm, and hyper-parameters, but different random seeds. These independently trained networks perform similarly. Yet, in a number of scenarios involving new distributions, the concatenated representation performs substantially better than an equivalently sized network trained with a single training run. This proves that the representations constructed by multiple training episodes are in fact different. Although their concatenation carries little additional information about the training task under the training distribution, it becomes substantially more informative when tasks or distributions change. Meanwhile, a single training episode is unlikely to yield such a redundant representation because the optimization process has no reason to accumulate features that do not incrementally improve the training performance.

Concept shift is a prevailing problem in natural tasks like medical image segmentation where samples usually come from different subpopulations with variant correlations between features and labels. One common type of concept shift in medical image segmentation is the "information imbalance" between label-sparse samples with few (if any) segmentation labels and label-dense samples with plentiful labeled pixels. Existing distributionally robust algorithms have focused on adaptively truncating/down-weighting the "less informative" (i.e., label-sparse in our context) samples. To exploit data features of label-sparse samples more efficiently, we propose an adaptively weighted online optimization algorithm -- AdaWAC -- to incorporate data augmentation consistency regularization in sample reweighting. Our method introduces a set of trainable weights to balance the supervised loss and unsupervised consistency regularization of each sample separately. At the saddle point of the underlying objective, the weights assign label-dense samples to the supervised loss and label-sparse samples to the unsupervised consistency regularization. We provide a convergence guarantee by recasting the optimization as online mirror descent on a saddle point problem. Our empirical results demonstrate that AdaWAC not only enhances the segmentation performance and sample efficiency but also improves the robustness to concept shift on various medical image segmentation tasks with different UNet-style backbones.

We introduce an unsupervised learning approach that combines the truncated singular value decomposition with convex clustering to estimate within-cluster directions of maximum variance/covariance (in the variables) while simultaneously hierarchically clustering (on observations). In contrast to previous work on joint clustering and embedding, our approach has a straightforward formulation, is readily scalable via distributed optimization, and admits a direct interpretation as hierarchically clustered principal component analysis (PCA), hierarchically clustered locally linear embedding (LLE), or hierarchically clustered canonical correlation analysis (CCA). Through numerical experiments and real-world examples relevant to precision medicine, we show that our approach outperforms traditional and contemporary clustering methods on both underdetermined problems ($p \gg N$ with tens of observations) and on large datasets (e.g., $N=100,000$) while yielding interpretable dendrograms of hierarchical per-cluster principal components or canonical variates.

Evaluating fairness can be challenging in practice because the sensitive attributes of data are often inaccessible due to privacy constraints. The go-to approach that the industry frequently adopts is using off-the-shelf proxy models to predict the missing sensitive attributes, e.g. Meta [Alao et al., 2021] and Twitter [Belli et al., 2022]. Despite its popularity, there are three important questions unanswered: (1) Is directly using proxies efficacious in measuring fairness? (2) If not, is it possible to accurately evaluate fairness using proxies only? (3) Given the ethical controversy over inferring user private information, is it possible to only use weak (i.e. inaccurate) proxies in order to protect privacy? Our theoretical analyses show that directly using proxy models can give a false sense of (un)fairness. Second, we develop an algorithm that is able to measure fairness (provably) accurately with only three properly identified proxies. Third, we show that our algorithm allows the use of only weak proxies (e.g. with only 68.85%accuracy on COMPAS), adding an extra layer of protection on user privacy. Experiments validate our theoretical analyses and show our algorithm can effectively measure and mitigate bias. Our results imply a set of practical guidelines for practitioners on how to use proxies properly. Code is available at github.com/UCSC-REAL/fair-eval.

Designing profitable and reliable trading strategies is challenging in the highly volatile cryptocurrency market. Existing works applied deep reinforcement learning methods and optimistically reported increased profits in backtesting, which may suffer from the false positive issue due to overfitting. In this paper, we propose a practical approach to address backtest overfitting for cryptocurrency trading using deep reinforcement learning. First, we formulate the detection of backtest overfitting as a hypothesis test. Then, we train the DRL agents, estimate the probability of overfitting, and reject the overfitted agents, increasing the chance of good trading performance. Finally, on 10 cryptocurrencies over a testing period from 05/01/2022 to 06/27/2022 (during which the crypto market crashed two times), we show that the less overfitted deep reinforcement learning agents have a higher return than that of more overfitted agents, an equal weight strategy, and the S&P DBM Index (market benchmark), offering confidence in possible deployment to a real market.

There are many frameworks for deep generative modeling, each often presented with their own specific training algorithms and inference methods. Here, we demonstrate the connections between existing deep generative models and the recently introduced GFlowNet framework, a probabilistic inference machine which treats sampling as a decision-making process. This analysis sheds light on their overlapping traits and provides a unifying viewpoint through the lens of learning with Markovian trajectories. Our framework provides a means for unifying training and inference algorithms, and provides a route to shine a unifying light over many generative models. Beyond this, we provide a practical and experimentally verified recipe for improving generative modeling with insights from the GFlowNet perspective.

In this paper we present a novel method, $\textit{Knowledge Persistence}$ ($\mathcal{KP}$), for faster evaluation of Knowledge Graph (KG) completion approaches. Current ranking-based evaluation is quadratic in the size of the KG, leading to long evaluation times and consequently a high carbon footprint. $\mathcal{KP}$ addresses this by representing the topology of the KG completion methods through the lens of topological data analysis, concretely using persistent homology. The characteristics of persistent homology allow $\mathcal{KP}$ to evaluate the quality of the KG completion looking only at a fraction of the data. Experimental results on standard datasets show that the proposed metric is highly correlated with ranking metrics (Hits@N, MR, MRR). Performance evaluation shows that $\mathcal{KP}$ is computationally efficient: In some cases, the evaluation time (validation+test) of a KG completion method has been reduced from 18 hours (using Hits@10) to 27 seconds (using $\mathcal{KP}$), and on average (across methods & data) reduces the evaluation time (validation+test) by $\approx$ $\textbf{99.96}\%$.

Despite the great promise that machine learning has offered in many fields of medicine, it has also raised concerns about potential biases and poor generalization across genders, age distributions, races and ethnicities, hospitals, and data acquisition equipment and protocols. In the current study, and in the context of three brain diseases, we provide evidence which suggests that when properly trained, machine learning models can generalize well across diverse conditions and do not necessarily suffer from bias. Specifically, by using multi-study magnetic resonance imaging consortia for diagnosing Alzheimer's disease, schizophrenia, and autism spectrum disorder, we find that well-trained models have a high area-under-the-curve (AUC) on subjects across different subgroups pertaining to attributes such as gender, age, racial groups, and different clinical studies and are unbiased under multiple fairness metrics such as demographic parity difference, equalized odds difference, equal opportunity difference etc. We find that models that incorporate multi-source data from demographic, clinical, genetic factors and cognitive scores are also unbiased. These models have better predictive AUC across subgroups than those trained only with imaging features but there are also situations when these additional features do not help.

Hyperparameter tuning is a common practice in the application of machine learning but is a typically ignored aspect in the literature on privacy-preserving machine learning due to its negative effect on the overall privacy parameter. In this paper, we aim to tackle this fundamental yet challenging problem by providing an effective hyperparameter tuning framework with differential privacy. The proposed method allows us to adopt a broader hyperparameter search space and even to perform a grid search over the whole space, since its privacy loss parameter is independent of the number of hyperparameter candidates. Interestingly, it instead correlates with the utility gained from hyperparameter searching, revealing an explicit and mandatory trade-off between privacy and utility. Theoretically, we show that its additional privacy loss bound incurred by hyperparameter tuning is upper-bounded by the squared root of the gained utility. However, we note that the additional privacy loss bound would empirically scale like a squared root of the logarithm of the utility term, benefiting from the design of doubling step.

This work revisits the joint beamforming (BF) and antenna selection (AS) problem, as well as its robust beamforming (RBF) version under imperfect channel state information (CSI). Such problems arise due to various reasons, e.g., the costly nature of the radio frequency (RF) chains and energy/resource-saving considerations. The joint (R)BF\&AS problem is a mixed integer and nonlinear program, and thus finding {\it optimal solutions} is often costly, if not outright impossible. The vast majority of the prior works tackled these problems using techniques such as continuous approximations, greedy methods, and supervised machine learning -- yet these approaches do not ensure optimality or even feasibility of the solutions. The main contribution of this work is threefold. First, an effective {\it branch and bound} (B\&B) framework for solving the problems of interest is proposed. Leveraging existing BF and RBF solvers, it is shown that the B\&B framework guarantees global optimality of the considered problems. Second, to expedite the potentially costly B\&B algorithm, a machine learning (ML)-based scheme is proposed to help skip intermediate states of the B\&B search tree. The learning model features a {\it graph neural network} (GNN)-based design that is resilient to a commonly encountered challenge in wireless communications, namely, the change of problem size (e.g., the number of users) across the training and test stages. Third, comprehensive performance characterizations are presented, showing that the GNN-based method retains the global optimality of B\&B with provably reduced complexity, under reasonable conditions. Numerical simulations also show that the ML-based acceleration can often achieve an order-of-magnitude speedup relative to B\&B.

To date, no "information-theoretic" frameworks for reasoning about generalization error have been shown to establish minimax rates for gradient descent in the setting of stochastic convex optimization. In this work, we consider the prospect of establishing such rates via several existing information-theoretic frameworks: input-output mutual information bounds, conditional mutual information bounds and variants, PAC-Bayes bounds, and recent conditional variants thereof. We prove that none of these bounds are able to establish minimax rates. We then consider a common tactic employed in studying gradient methods, whereby the final iterate is corrupted by Gaussian noise, producing a noisy "surrogate" algorithm. We prove that minimax rates cannot be established via the analysis of such surrogates. Our results suggest that new ideas are required to analyze gradient descent using information-theoretic techniques.

We initiate a study of supervised learning from many independent sequences ("trajectories") of non-independent covariates, reflecting tasks in sequence modeling, control, and reinforcement learning. Conceptually, our multi-trajectory setup sits between two traditional settings in statistical learning theory: learning from independent examples and learning from a single auto-correlated sequence. Our conditions for efficient learning generalize the former setting--trajectories must be non-degenerate in ways that extend standard requirements for independent examples. Notably, we do not require that trajectories be ergodic, long, nor strictly stable. For linear least-squares regression, given $n$-dimensional examples produced by $m$ trajectories, each of length $T$, we observe a notable change in statistical efficiency as the number of trajectories increases from a few (namely $m \lesssim n$) to many (namely $m \gtrsim n$). Specifically, we establish that the worst-case error rate of this problem is $\Theta(n / m T)$ whenever $m \gtrsim n$. Meanwhile, when $m \lesssim n$, we establish a (sharp) lower bound of $\Omega(n^2 / m^2 T)$ on the worst-case error rate, realized by a simple, marginally unstable linear dynamical system. A key upshot is that, in domains where trajectories regularly reset, the error rate eventually behaves as if all of the examples were independent, drawn from their marginals. As a corollary of our analysis, we also improve guarantees for the linear system identification problem.

We propose a framework for decision-making in the presence of strategic agents with panel data, a standard setting in econometrics and statistics where one gets noisy, repeated measurements of multiple units. We consider a setup where there is a pre-intervention period, when the principal observes the outcomes of each unit, after which the principal uses these observations to assign a treatment to each unit. Our model can be thought of as a generalization of the synthetic controls and synthetic interventions frameworks, where units (or agents) may strategically manipulate pre-intervention outcomes to receive a more desirable intervention. We identify necessary and sufficient conditions under which a strategyproof mechanism that assigns interventions in the post-intervention period exists. Under a latent factor model assumption, we show that whenever a strategyproof mechanism exists, there is one with a simple closed form. In the setting where there is a single treatment and control (i.e., no other interventions), we establish that there is always a strategyproof mechanism, and provide an algorithm for learning such a mechanism. For the setting of multiple interventions, we provide an algorithm for learning a strategyproof mechanism, if there exists a sufficiently large gap in rewards between the different interventions. Finally, we empirically evaluate our model using real-world panel data collected from product sales over 18 months. We find that our methods compare favorably to baselines which do not take strategic interactions into consideration -- even in the presence of model misspecification. Along the way, we prove impossibility results for multi-class strategic classification, which may be of independent interest.

Reinforcement learning (RL) is recognized as lacking generalization and robustness under environmental perturbations, which excessively restricts its application for real-world robotics. Prior work claimed that adding regularization to the value function is equivalent to learning a robust policy with uncertain transitions. Although the regularization-robustness transformation is appealing for its simplicity and efficiency, it is still lacking in continuous control tasks. In this paper, we propose a new regularizer named $\textbf{U}$ncertainty $\textbf{S}$et $\textbf{R}$egularizer (USR), by formulating the uncertainty set on the parameter space of the transition function. In particular, USR is flexible enough to be plugged into any existing RL framework. To deal with unknown uncertainty sets, we further propose a novel adversarial approach to generate them based on the value function. We evaluate USR on the Real-world Reinforcement Learning (RWRL) benchmark, demonstrating improvements in the robust performance for perturbed testing environments.

We introduce a meta-learning algorithm for adversarially robust classification. The proposed method tries to be as model agnostic as possible and optimizes a dataset prior to its deployment in a machine learning system, aiming to effectively erase its non-robust features. Once the dataset has been created, in principle no specialized algorithm (besides standard gradient descent) is needed to train a robust model. We formulate the data optimization procedure as a bi-level optimization problem on kernel regression, with a class of kernels that describe infinitely wide neural nets (Neural Tangent Kernels). We present extensive experiments on standard computer vision benchmarks using a variety of different models, demonstrating the effectiveness of our method, while also pointing out its current shortcomings. In parallel, we revisit prior work that also focused on the problem of data optimization for robust classification \citep{Ily+19}, and show that being robust to adversarial attacks after standard (gradient descent) training on a suitable dataset is more challenging than previously thought.

We introduce meta-learning algorithms that perform zero-shot weight-space adaptation of neural network models to unseen tasks. Our methods repurpose the popular generative image synthesis techniques of natural language guidance and diffusion models to generate neural network weights adapted for tasks. We first train an unconditional generative hypernetwork model to produce neural network weights; then we train a second "guidance" model that, given a natural language task description, traverses the hypernetwork latent space to find high-performance task-adapted weights in a zero-shot manner. We explore two alternative approaches for latent space guidance: "HyperCLIP"-based classifier guidance and a conditional Hypernetwork Latent Diffusion Model ("HyperLDM"), which we show to benefit from the classifier-free guidance technique common in image generation. Finally, we demonstrate that our approaches outperform existing multi-task and meta-learning methods in a series of zero-shot learning experiments on our Meta-VQA dataset.

The impressive performances of deep learning architectures is associated to massive increase of models complexity. Millions of parameters need be tuned, with training and inference time scaling accordingly. But is massive fine-tuning necessary? In this paper, focusing on image classification, we consider a simple transfer learning approach exploiting pretrained convolutional features as input for a fast kernel method. We refer to this approach as top-tuning, since only the kernel classifier is trained. By performing more than 2500 training processes we show that this top-tuning approach provides comparable accuracy w.r.t. fine-tuning, with a training time that is between one and two orders of magnitude smaller. These results suggest that top-tuning provides a useful alternative to fine-tuning in small/medium datasets, especially when training efficiency is crucial.

Studying facial expressions is a notoriously difficult endeavor. Recent advances in the field of affective computing have yielded impressive progress in automatically detecting facial expressions from pictures and videos. However, much of this work has yet to be widely disseminated in social science domains such as psychology. Current state of the art models require considerable domain expertise that is not traditionally incorporated into social science training programs. Furthermore, there is a notable absence of user-friendly and open-source software that provides a comprehensive set of tools and functions that support facial expression research. In this paper, we introduce Py-Feat, an open-source Python toolbox that provides support for detecting, preprocessing, analyzing, and visualizing facial expression data. Py-Feat makes it easy for domain experts to disseminate and benchmark computer vision models and also for end users to quickly process, analyze, and visualize face expression data. We hope this platform will facilitate increased use of facial expression data in human behavior research.

An informative measurement is the most efficient way to gain information about an unknown state. We present a first-principles derivation of a general-purpose dynamic programming algorithm that returns an optimal sequence of informative measurements by sequentially maximizing the entropy of possible measurement outcomes. This algorithm can be used by an autonomous agent or robot to decide where best to measure next, planning a path corresponding to an optimal sequence of informative measurements. The algorithm is applicable to states and controls that are either continuous or discrete, and agent dynamics that is either stochastic or deterministic; including Markov decision processes and Gaussian processes. Recent results from the fields of approximate dynamic programming and reinforcement learning, including on-line approximations such as rollout and Monte Carlo tree search, allow the measurement task to be solved in real time. The resulting solutions include non-myopic paths and measurement sequences that can generally outperform, sometimes substantially, commonly used greedy approaches. This is demonstrated for a global search task, where on-line planning for a sequence of local searches is found to reduce the number of measurements in the search by approximately half. A variant of the algorithm is derived for Gaussian processes for active sensing.

Adversarial extraction attacks constitute an insidious threat against Deep Learning (DL) models in-which an adversary aims to steal the architecture, parameters, and hyper-parameters of a targeted DL model. Existing extraction attack literature have observed varying levels of attack success for different DL models and datasets, yet the underlying cause(s) behind their susceptibility often remain unclear, and would help facilitate creating secure DL systems. In this paper we present PINCH: an efficient and automated extraction attack framework capable of designing, deploying, and analyzing extraction attack scenarios across heterogeneous hardware platforms. Using PINCH, we perform extensive experimental evaluation of extraction attacks against 21 model architectures to explore new extraction attack scenarios and further attack staging. Our findings show (1) key extraction characteristics whereby particular model configurations exhibit strong resilience against specific attacks, (2) even partial extraction success enables further staging for other adversarial attacks, and (3) equivalent stolen models uncover differences in expressive power, yet exhibit similar captured knowledge.

Large language models (LLMs) have shown promise for automatic summarization but the reasons behind their successes are poorly understood. By conducting a human evaluation on ten LLMs across different pretraining methods, prompts, and model scales, we make two important observations. First, we find instruction tuning, and not model size, is the key to the LLM's zero-shot summarization capability. Second, existing studies have been limited by low-quality references, leading to underestimates of human performance and lower few-shot and finetuning performance. To better evaluate LLMs, we perform human evaluation over high-quality summaries we collect from freelance writers. Despite major stylistic differences such as the amount of paraphrasing, we find that LMM summaries are judged to be on par with human written summaries.

Variational quantum algorithms represent a promising approach to quantum machine learning where classical neural networks are replaced by parametrized quantum circuits. Here, we present a variational approach to quantize projective simulation (PS), a reinforcement learning model aimed at interpretable artificial intelligence. Decision making in PS is modeled as a random walk on a graph describing the agent's memory. To implement the quantized model, we consider quantum walks of single photons in a lattice of tunable Mach-Zehnder interferometers. We propose variational algorithms tailored to reinforcement learning tasks, and we show, using an example from transfer learning, that the quantized PS learning model can outperform its classical counterpart. Finally, we discuss the role of quantum interference for training and decision making, paving the way for realizations of interpretable quantum learning agents.

The adversarial vulnerability of neural nets, and subsequent techniques to create robust models have attracted significant attention; yet we still lack a full understanding of this phenomenon. Here, we study adversarial examples of trained neural networks through analytical tools afforded by recent theory advances connecting neural networks and kernel methods, namely the Neural Tangent Kernel (NTK), following a growing body of work that leverages the NTK approximation to successfully analyze important deep learning phenomena and design algorithms for new applications. We show how NTKs allow to generate adversarial examples in a ``training-free'' fashion, and demonstrate that they transfer to fool their finite-width neural net counterparts in the ``lazy'' regime. We leverage this connection to provide an alternative view on robust and non-robust features, which have been suggested to underlie the adversarial brittleness of neural nets. Specifically, we define and study features induced by the eigendecomposition of the kernel to better understand the role of robust and non-robust features, the reliance on both for standard classification and the robustness-accuracy trade-off. We find that such features are surprisingly consistent across architectures, and that robust features tend to correspond to the largest eigenvalues of the model, and thus are learned early during training. Our framework allows us to identify and visualize non-robust yet useful features. Finally, we shed light on the robustness mechanism underlying adversarial training of neural nets used in practice: quantifying the evolution of the associated empirical NTK, we demonstrate that its dynamics falls much earlier into the ``lazy'' regime and manifests a much stronger form of the well known bias to prioritize learning features within the top eigenspaces of the kernel, compared to standard training.

The last decade witnessed a growing interest in Bayesian learning. Yet, the technicality of the topic and the multitude of ingredients involved therein, besides the complexity of turning theory into practical implementations, limit the use of the Bayesian learning paradigm, preventing its widespread adoption across different fields and applications. This self-contained survey engages and introduces readers to the principles and algorithms of Bayesian Learning for Neural Networks. It provides an introduction to the topic from an accessible, practical-algorithmic perspective. Upon providing a general introduction to Bayesian Neural Networks, we discuss and present both standard and recent approaches for Bayesian inference, with an emphasis on solutions relying on Variational Inference and the use of Natural gradients. We also discuss the use of manifold optimization as a state-of-the-art approach to Bayesian learning. We examine the characteristic properties of all the discussed methods, and provide pseudo-codes for their implementation, paying attention to practical aspects, such as the computation of the gradients.

Cutting planes are a crucial component of state-of-the-art mixed-integer programming solvers, with the choice of which subset of cuts to add being vital for solver performance. We propose new distance-based measures to qualify the value of a cut by quantifying the extent to which it separates relevant parts of the relaxed feasible set. For this purpose, we use the analytic centers of the relaxation polytope or of its optimal face, as well as alternative optimal solutions of the linear programming relaxation. We assess the impact of the choice of distance measure on root node performance and throughout the whole branch-and-bound tree, comparing our measures against those prevalent in the literature. Finally, by a multi-output regression, we predict the relative performance of each measure, using static features readily available before the separation process. Our results indicate that analytic center-based methods help to significantly reduce the number of branch-and-bound nodes needed to explore the search space and that our multiregression approach can further improve on any individual method.

We study the problem of out-of-distribution (o.o.d.) generalization where spurious correlations of attributes vary across training and test domains. This is known as the problem of correlation shift and has posed concerns on the reliability of machine learning. In this work, we introduce the concepts of direct and indirect effects from causal inference to the domain generalization problem. We argue that models that learn direct effects minimize the worst-case risk across correlation-shifted domains. To eliminate the indirect effects, our algorithm consists of two stages: in the first stage, we learn an indirect-effect representation by minimizing the prediction error of domain labels using the representation and the class label; in the second stage, we remove the indirect effects learned in the first stage by matching each data with another data of similar indirect-effect representation but of different class label. We also propose a new model selection method by matching the validation set in the same way, which is shown to improve the generalization performance of existing models on correlation-shifted datasets. Experiments on 5 correlation-shifted datasets and the DomainBed benchmark verify the effectiveness of our approach.

Diffusion models have achieved state-of-the-art synthesis quality on both visual and audio tasks, and recent works further adapt them to textual data by diffusing on the embedding space. In this paper, we conduct systematic studies and analyze the challenges between the continuous data space and the embedding space which have not been carefully explored. Firstly, the data distribution is learnable for embeddings, which may lead to the collapse of the loss function. Secondly, as the norm of embeddings varies between popular and rare words, adding the same noise scale will lead to sub-optimal results. In addition, we find the normal level of noise causes insufficient training of the model. To address the above challenges, we propose Difformer, an embedding diffusion model based on Transformer, which consists of three essential modules including an additional anchor loss function, a layer normalization module for embeddings, and a noise factor to the Gaussian noise. Experiments on two seminal text generation tasks including machine translation and text summarization show the superiority of Difformer over compared embedding diffusion baselines.

Efficient Transformers have been developed for long sequence modeling, due to their subquadratic memory and time complexity. Sparse Transformer is a popular approach to improving the efficiency of Transformers by restricting self-attention to locations specified by the predefined sparse patterns. However, leveraging sparsity may sacrifice expressiveness compared to full-attention, when important token correlations are multiple hops away. To combine advantages of both the efficiency of sparse transformer and the expressiveness of full-attention Transformer, we propose \textit{Diffuser}, a new state-of-the-art efficient Transformer. Diffuser incorporates all token interactions within one attention layer while maintaining low computation and memory costs. The key idea is to expand the receptive field of sparse attention using Attention Diffusion, which computes multi-hop token correlations based on all paths between corresponding disconnected tokens, besides attention among neighboring tokens. Theoretically, we show the expressiveness of Diffuser as a universal sequence approximator for sequence-to-sequence modeling, and investigate its ability to approximate full-attention by analyzing the graph expander property from the spectral perspective. Experimentally, we investigate the effectiveness of Diffuser with extensive evaluations, including language modeling, image modeling, and Long Range Arena (LRA). Evaluation results show that Diffuser achieves improvements by an average of 0.94% on text classification tasks and 2.30% on LRA, with 1.67$\times$ memory savings compared to state-of-the-art benchmarks, which demonstrates superior performance of Diffuser in both expressiveness and efficiency aspects.

SARS-COV-19 is the most prominent issue which many countries face today. The frequent changes in infections, recovered and deaths represents the dynamic nature of this pandemic. It is very crucial to predict the spreading rate of this virus for accurate decision making against fighting with the situation of getting infected through the virus, tracking and controlling the virus transmission in the community. We develop a prediction model using statistical time series models such as SARIMA and FBProphet to monitor the daily active, recovered and death cases of COVID-19 accurately. Then with the help of various details across each individual patient (like height, weight, gender etc.), we designed a set of rules using Semantic Web Rule Language and some mathematical models for dealing with COVID19 infected cases on an individual basis. After combining all the models, a COVID-19 Ontology is developed and performs various queries using SPARQL query on designed Ontology which accumulate the risk factors, provide appropriate diagnosis, precautions and preventive suggestions for COVID Patients. After comparing the performance of SARIMA and FBProphet, it is observed that the SARIMA model performs better in forecasting of COVID cases. On individual basis COVID case prediction, approx. 497 individual samples have been tested and classified into five different levels of COVID classes such as Having COVID, No COVID, High Risk COVID case, Medium to High Risk case, and Control needed case.

Convolutional neural network (CNN) becomes one of the most popular and prominent deep learning architectures for computer vision, but its black box feature hides the internal prediction process. For this reason, AI practitioners have shed light on explainable AI to provide the interpretability of the model behavior. In particular, class activation map (CAM) and Grad-CAM based methods have shown promise results, but they have architectural limitation or gradient computing burden. To resolve these, Score-CAM has been suggested as a gradient-free method, however, it requires more execution time compared to CAM or Grad-CAM based methods. Therefore, we propose a lightweight architecture and gradient free Reciprocal CAM (Recipro-CAM) by spatially masking the extracted feature maps to exploit the correlation between activation maps and network outputs. With the proposed method, we achieved the gains of 1.78 - 3.72% in the ResNet family compared to Score-CAM in Average Drop- Coherence-Complexity (ADCC) metric, excluding the VGG-16 (1.39% drop). In addition, Recipro-CAM exhibits a saliency map generation rate similar to Grad-CAM and approximately 148 times faster than Score-CAM. The source code of Recipro-CAM is available at our data analysis framework.

Latent variable discovery is a central problem in data analysis with a broad range of applications in applied science. In this work, we consider data given as an invertible mixture of two statistically independent components, and assume that one of the components is observed while the other is hidden. Our goal is to recover the hidden component. For this purpose, we propose an autoencoder equipped with a discriminator. Unlike the standard nonlinear ICA problem, which was shown to be non-identifiable, in the special case of ICA we consider here, we show that our approach can recover the component of interest up to entropy-preserving transformation. We demonstrate the performance of the proposed approach on several datasets, including image synthesis, voice cloning, and fetal ECG extraction.

POMDPs capture a broad class of decision making problems, but hardness results suggest that learning is intractable even in simple settings due to the inherent partial observability. However, in many realistic problems, more information is either revealed or can be computed during some point of the learning process. Motivated by diverse applications ranging from robotics to data center scheduling, we formulate a \setting (\setshort) as a POMDP where the latent states are revealed to the learner in hindsight and only during training. We introduce new algorithms for the tabular and function approximation settings that are provably sample-efficient with hindsight observability, even in POMDPs that would otherwise be statistically intractable. We give a lower bound showing that the tabular algorithm is optimal in its dependence on latent state and observation cardinalities.

We present a novel robust policy gradient method (RPG) for s-rectangular robust Markov Decision Processes (MDPs). We are the first to derive the adversarial kernel in a closed form and demonstrate that it is a one-rank perturbation of the nominal kernel. This allows us to derive an RPG that is similar to the one used in non-robust MDPs, except with a robust Q-value function and an additional correction term. Both robust Q-values and correction terms are efficiently computable, thus the time complexity of our method matches that of non-robust MDPs, which is significantly faster compared to existing black box methods.

We present a generalized linear structural causal model, coupled with a novel data-adaptive linear regularization, to recover causal directed acyclic graphs (DAGs) from time series. By leveraging a recently developed stochastic monotone Variational Inequality (VI) formulation, we cast the causal discovery problem as a general convex optimization. Furthermore, we develop a non-asymptotic recovery guarantee and quantifiable uncertainty by solving a linear program to establish confidence intervals for a wide range of non-linear monotone link functions. We validate our theoretical results and show the competitive performance of our method via extensive numerical experiments. Most importantly, we demonstrate the effectiveness of our approach in recovering highly interpretable causal DAGs over Sepsis Associated Derangements (SADs) while achieving comparable prediction performance to powerful ``black-box'' models such as XGBoost. Thus, the future adoption of our proposed method to conduct continuous surveillance of high-risk patients by clinicians is much more likely.

From natural language processing to genome sequencing, large-scale machine learning models are bringing advances to a broad range of fields. Many of these models are too large to be trained on a single machine, and instead must be distributed across multiple devices. This has motivated the research of new compute and network systems capable of handling such tasks. In particular, recent work has focused on developing management schemes which decide how to allocate distributed resources such that some overall objective, such as minimising the job completion time (JCT), is optimised. However, such studies omit explicit consideration of how much a job should be distributed, usually assuming that maximum distribution is desirable. In this work, we show that maximum parallelisation is sub-optimal in relation to user-critical metrics such as throughput and blocking rate. To address this, we propose PAC-ML (partitioning for asynchronous computing with machine learning). PAC-ML leverages a graph neural network and reinforcement learning to learn how much to partition computation graphs such that the number of jobs which meet arbitrary user-defined JCT requirements is maximised. In experiments with five real deep learning computation graphs on a recently proposed optical architecture across four user-defined JCT requirement distributions, we demonstrate PAC-ML achieving up to 56.2% lower blocking rates in dynamic job arrival settings than the canonical maximum parallelisation strategy used by most prior works.

We consider the Feynman-Kitaev formalism applied to a spin chain described by the transverse field Ising model. This formalism consists of building a Hamiltonian whose ground state encodes the time evolution of the spin chain at discrete time steps. To find this ground state, variational wave functions parameterised by artificial neural networks -- also known as neural quantum states (NQSs) -- are used. Our work focuses on assessing, in the context of the Feynman-Kitaev formalism, two properties of NQSs: expressivity (the possibility that variational parameters can be set to values such that the NQS is faithful to the true ground state of the system) and trainability (the process of reaching said values). We find that the considered NQSs are capable of accurately approximating the true ground state of the system, i.e., they are expressive enough ans\"atze. However, extensive hyperparameter tuning experiments show that, empirically, reaching the set of values for the variational parameters that correctly describe the ground state becomes ever more difficult as the number of time steps increase because the true ground state becomes more entangled, and the probability distribution starts to spread across the Hilbert space canonical basis.

Gaussian processes are arguably the most important model class in spatial statistics. They encode prior information about the modeled function and can be used for exact or approximate Bayesian inference. In many applications, particularly in physical sciences and engineering, but also in areas such as geostatistics and neuroscience, invariance to symmetries is one of the most fundamental forms of prior information one can consider. The invariance of a Gaussian process' covariance to such symmetries gives rise to the most natural generalization of the concept of stationarity to such spaces. In this work, we develop constructive and practical techniques for building stationary Gaussian processes on a very large class of non-Euclidean spaces arising in the context of symmetries. Our techniques make it possible to (i) calculate covariance kernels and (ii) sample from prior and posterior Gaussian processes defined on such spaces, both in a practical manner. This work is split into two parts, each involving different technical considerations: part I studies compact spaces, while part II studies non-compact spaces possessing certain structure. Our contributions make the non-Euclidean Gaussian process models we study compatible with well-understood computational techniques available in standard Gaussian process software packages, thereby making them accessible to practitioners.

Counterfactual explanations describe how to modify a feature vector in order to flip the outcome of a trained classifier. Obtaining robust counterfactual explanations is essential to provide valid algorithmic recourse and meaningful explanations. We study the robustness of explanations of randomized ensembles, which are always subject to algorithmic uncertainty even when the training data is fixed. We formalize the generation of robust counterfactual explanations as a probabilistic problem and show the link between the robustness of ensemble models and the robustness of base learners. We develop a practical method with good empirical performance and support it with theoretical guarantees for ensembles of convex base learners. Our results show that existing methods give surprisingly low robustness: the validity of naive counterfactuals is below $50\%$ on most data sets and can fall to $20\%$ on problems with many features. In contrast, our method achieves high robustness with only a small increase in the distance from counterfactual explanations to their initial observations.

Developing systems that can synthesize natural and life-like motions for simulated characters has long been a focus for computer animation. But in order for these systems to be useful for downstream applications, they need not only produce high-quality motions, but must also provide an accessible and versatile interface through which users can direct a character's behaviors. Natural language provides a simple-to-use and expressive medium for specifying a user's intent. Recent breakthroughs in natural language processing (NLP) have demonstrated effective use of language-based interfaces for applications such as image generation and program synthesis. In this work, we present PADL, which leverages recent innovations in NLP in order to take steps towards developing language-directed controllers for physics-based character animation. PADL allows users to issue natural language commands for specifying both high-level tasks and low-level skills that a character should perform. We present an adversarial imitation learning approach for training policies to map high-level language commands to low-level controls that enable a character to perform the desired task and skill specified by a user's commands. Furthermore, we propose a multi-task aggregation method that leverages a language-based multiple-choice question-answering approach to determine high-level task objectives from language commands. We show that our framework can be applied to effectively direct a simulated humanoid character to perform a diverse array of complex motor skills.

The recent availability of electronic health records (EHRs) have provided enormous opportunities to develop artificial intelligence (AI) algorithms. However, patient privacy has become a major concern that limits data sharing across hospital settings and subsequently hinders the advances in AI. Synthetic data, which benefits from the development and proliferation of generative models, has served as a promising substitute for real patient EHR data. However, the current generative models are limited as they only generate single type of clinical data for a synthetic patient, i.e., either continuous-valued or discrete-valued. To mimic the nature of clinical decision-making which encompasses various data types/sources, in this study, we propose a generative adversarial network (GAN) entitled EHR-M-GAN which simultaneously synthesizes mixed-type timeseries EHR data. EHR-M-GAN is capable of capturing the multidimensional, heterogeneous, and correlated temporal dynamics in patient trajectories. We have validated EHR-M-GAN on three publicly-available intensive care unit databases with records from a total of 141,488 unique patients, and performed privacy risk evaluation of the proposed model. EHR-M-GAN has demonstrated its superiority over state-of-the-art benchmarks for synthesizing clinical timeseries with high fidelity, while addressing the limitations regarding data types and dimensionality in the current generative models. Notably, prediction models for outcomes of intensive care performed significantly better when training data was augmented with the addition of EHR-M-GAN-generated timeseries. EHR-M-GAN may have use in developing AI algorithms in resource-limited settings, lowering the barrier for data acquisition while preserving patient privacy.

Model multiplicity is a well-known but poorly understood phenomenon that undermines the generalisation guarantees of machine learning models. It appears when two models with similar training-time performance differ in their predictions and real-world performance characteristics. This observed 'predictive' multiplicity (PM) also implies elusive differences in the internals of the models, their 'representational' multiplicity (RM). We introduce a conceptual and experimental setup for analysing RM by measuring activation similarity via singular vector canonical correlation analysis (SVCCA). We show that certain differences in training methods systematically result in larger RM than others and evaluate RM and PM over a finite sample as predictors for generalizability. We further correlate RM with PM measured by the variance in i.i.d. and out-of-distribution test predictions in four standard image data sets. Finally, instead of attempting to eliminate RM, we call for its systematic measurement and maximal exposure.

In this work, we quantitatively calibrate the performance of global and local models in federated learning through a multi-criterion optimization-based framework, which we cast as a constrained program. The objective of a device is its local objective, which it seeks to minimize while satisfying nonlinear constraints that quantify the proximity between the local and the global model. By considering the Lagrangian relaxation of this problem, we develop a novel primal-dual method called Federated Learning Beyond Consensus (\texttt{FedBC}). Theoretically, we establish that \texttt{FedBC} converges to a first-order stationary point at rates that matches the state of the art, up to an additional error term that depends on a tolerance parameter introduced to scalarize the multi-criterion formulation. Finally, we demonstrate that \texttt{FedBC} balances the global and local model test accuracy metrics across a suite of datasets (Synthetic, MNIST, CIFAR-10, Shakespeare), achieving competitive performance with state-of-the-art.

Gradient-based methods for value estimation in reinforcement learning have favorable stability properties, but they are typically much slower than Temporal Difference (TD) learning methods. We study the root causes of this slowness and show that Mean Square Bellman Error (MSBE) is an ill-conditioned loss function in the sense that its Hessian has large condition-number. To resolve the adverse effect of poor conditioning of MSBE on gradient based methods, we propose a low complexity batch-free proximal method that approximately follows the Gauss-Newton direction and is asymptotically robust to parameterization. Our main algorithm, called RANS, is efficient in the sense that it is significantly faster than the residual gradient methods while having almost the same computational complexity, and is competitive with TD on the classic problems that we tested.

We propose a novel algorithm, Salient Conditional Diffusion (Sancdifi), a state-of-the-art defense against backdoor attacks. Sancdifi uses a denoising diffusion probabilistic model (DDPM) to degrade an image with noise and then recover said image using the learned reverse diffusion. Critically, we compute saliency map-based masks to condition our diffusion, allowing for stronger diffusion on the most salient pixels by the DDPM. As a result, Sancdifi is highly effective at diffusing out triggers in data poisoned by backdoor attacks. At the same time, it reliably recovers salient features when applied to clean data. This performance is achieved without requiring access to the model parameters of the Trojan network, meaning Sancdifi operates as a black-box defense.

Semi-supervised Learning (SSL) has witnessed great success owing to the impressive performances brought by various methods based on pseudo labeling and consistency regularization. However, we argue that existing methods might fail to utilize the unlabeled data more effectively since they either use a pre-defined / fixed threshold or an ad-hoc threshold adjusting scheme, resulting in inferior performance and slow convergence. We first analyze a motivating example to obtain intuitions on the relationship between the desirable threshold and model's learning status. Based on the analysis, we hence propose FreeMatch to adjust the confidence threshold in a self-adaptive manner according to the model's learning status. We further introduce a self-adaptive class fairness regularization penalty to encourage the model for diverse predictions during the early training stage. Extensive experiments indicate the superiority of FreeMatch especially when the labeled data are extremely rare. FreeMatch achieves 5.78%, 13.59%, and 1.28% error rate reduction over the latest state-of-the-art method FlexMatch on CIFAR-10 with 1 label per class, STL-10 with 4 labels per class, and ImageNet with 100 labels per class, respectively. Moreover, FreeMatch can also boost the performance of imbalanced SSL. The codes can be found at https://github.com/microsoft/Semi-supervised-learning.

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the distribution of potential outcomes. In this work, we estimate the density of potential outcomes after interventions from observational data. For this, we propose a novel, fully-parametric deep learning method called Interventional Normalizing Flows. Specifically, we combine two normalizing flows, namely (i) a teacher flow for estimating nuisance parameters and (ii) a student flow for a parametric estimation of the density of potential outcomes. We further develop a tractable optimization objective based on a one-step bias correction for an efficient and doubly robust estimation of the student flow parameters. As a result our Interventional Normalizing Flows offer a properly normalized density estimator. Across various experiments, we demonstrate that our Interventional Normalizing Flows are expressive and highly effective, and scale well with both sample size and high-dimensional confounding. To the best of our knowledge, our Interventional Normalizing Flows are the first fully-parametric, deep learning method for density estimation of potential outcomes.

This paper presents a new convergent Plug-and-Play (PnP) algorithm. PnP methods are efficient iterative algorithms for solving image inverse problems formulated as the minimization of the sum of a data-fidelity term and a regularization term. PnP methods perform regularization by plugging a pre-trained denoiser in a proximal algorithm, such as Proximal Gradient Descent (PGD). To ensure convergence of PnP schemes, many works study specific parametrizations of deep denoisers. However, existing results require either unverifiable or suboptimal hypotheses on the denoiser, or assume restrictive conditions on the parameters of the inverse problem. Observing that these limitations can be due to the proximal algorithm in use, we study a relaxed version of the PGD algorithm for minimizing the sum of a convex function and a weakly convex one. When plugged with a relaxed proximal denoiser, we show that the proposed PnP-$\alpha$PGD algorithm converges for a wider range of regularization parameters, thus allowing more accurate image restoration.

Black-box optimization (BBO) algorithms are concerned with finding the best solutions for problems with missing analytical details. Most classical methods for such problems are based on strong and fixed a priori assumptions, such as Gaussianity. However, the complex real-world problems, especially when the global optimum is desired, could be very far from the a priori assumptions because of their diversities, causing unexpected obstacles. In this study, we propose a generative adversarial net-based broad-spectrum global optimizer (OPT-GAN) which estimates the distribution of optimum gradually, with strategies to balance exploration-exploitation trade-off. It has potential to better adapt to the regularity and structure of diversified landscapes than other methods with fixed prior, e.g., Gaussian assumption or separability. Experiments on diverse BBO benchmarks and high dimensional real world applications exhibit that OPT-GAN outperforms other traditional and neural net-based BBO algorithms.

It is well known that two-sided markets are unfair in a number of ways. For instance, female workers at Uber earn less than their male colleagues per mile driven. Similar observations have been made for other minority subgroups in other two-sided markets. Here, we suggest a novel market-clearing mechanism for two-sided markets, which promotes equalisation of the pay per hour worked across multiple subgroups, as well as within each subgroup. In the process, we introduce a novel notion of subgroup fairness (which we call Inter-fairness), which can be combined with other notions of fairness within each subgroup (called Intra-fairness), and the utility for the customers (Customer-Care) in the objective of the market-clearing problem. While the novel non-linear terms in the objective complicate market clearing by making the problem non-convex, we show that a certain non-convex augmented Lagrangian relaxation can be approximated to any precision in time polynomial in the number of market participants using semi-definite programming. This makes it possible to implement the market-clearing mechanism efficiently. On the example of driver-ride assignment in an Uber-like system, we demonstrate the efficacy and scalability of the approach, and trade-offs between Inter- and Intra-fairness.

We introduce a computational efficient data-driven framework suitable for quantifying the uncertainty in physical parameters and model formulation of computer models, represented by differential equations. We construct physics-informed priors, which are multi-output GP priors that encode the model's structure in the covariance function. This is extended into a fully Bayesian framework that quantifies the uncertainty of physical parameters and model predictions. Since physical models often are imperfect descriptions of the real process, we allow the model to deviate from the observed data by considering a discrepancy function. For inference, Hamiltonian Monte Carlo is used. Further, approximations for big data are developed that reduce the computational complexity from $\mathcal{O}(N^3)$ to $\mathcal{O}(N\cdot m^2),$ where $m \ll N.$ Our approach is demonstrated in simulation and real data case studies where the physics are described by time-dependent ODEs describe (cardiovascular models) and space-time dependent PDEs (heat equation). In the studies, it is shown that our modelling framework can recover the true parameters of the physical models in cases where 1) the reality is more complex than our modelling choice and 2) the data acquisition process is biased while also producing accurate predictions. Furthermore, it is demonstrated that our approach is computationally faster than traditional Bayesian calibration methods.

Graphs are widely used to model the complex relationships among entities. As a powerful tool for graph analytics, graph neural networks (GNNs) have recently gained wide attention due to its end-to-end processing capabilities. With the proliferation of cloud computing, it is increasingly popular to deploy the services of complex and resource-intensive model training and inference in the cloud due to its prominent benefits. However, GNN training and inference services, if deployed in the cloud, will raise critical privacy concerns about the information-rich and proprietary graph data (and the resulting model). While there has been some work on secure neural network training and inference, they all focus on convolutional neural networks handling images and text rather than complex graph data with rich structural information. In this paper, we design, implement, and evaluate SecGNN, the first system supporting privacy-preserving GNN training and inference services in the cloud. SecGNN is built from a synergy of insights on lightweight cryptography and machine learning techniques. We deeply examine the procedure of GNN training and inference, and devise a series of corresponding secure customized protocols to support the holistic computation. Extensive experiments demonstrate that SecGNN achieves comparable plaintext training and inference accuracy, with promising performance.

Many deep generative models are defined as a push-forward of a Gaussian measure by a continuous generator, such as Generative Adversarial Networks (GANs) or Variational Auto-Encoders (VAEs). This work explores the latent space of such deep generative models. A key issue with these models is their tendency to output samples outside of the support of the target distribution when learning disconnected distributions. We investigate the relationship between the performance of these models and the geometry of their latent space. Building on recent developments in geometric measure theory, we prove a sufficient condition for optimality in the case where the dimension of the latent space is larger than the number of modes. Through experiments on GANs, we demonstrate the validity of our theoretical results and gain new insights into the latent space geometry of these models. Additionally, we propose a truncation method that enforces a simplicial cluster structure in the latent space and improves the performance of GANs.

As machine learning (ML) algorithms are increasingly used in high-stakes applications, concerns have arisen that they may be biased against certain social groups. Although many approaches have been proposed to make ML models fair, they typically rely on the assumption that data distributions in training and deployment are identical. Unfortunately, this is commonly violated in practice and a model that is fair during training may lead to an unexpected outcome during its deployment. Although the problem of designing robust ML models under dataset shifts has been widely studied, most existing works focus only on the transfer of accuracy. In this paper, we study the transfer of both fairness and accuracy under domain generalization where the data at test time may be sampled from never-before-seen domains. We first develop theoretical bounds on the unfairness and expected loss at deployment, and then derive sufficient conditions under which fairness and accuracy can be perfectly transferred via invariant representation learning. Guided by this, we design a learning algorithm such that fair ML models learned with training data still have high fairness and accuracy when deployment environments change. Experiments on real-world data validate the proposed algorithm. Model implementation is available at https://github.com/pth1993/FATDM.  ( 2 min )

The dynamic Schr\"odinger bridge problem provides an appealing setting for solving optimal transport problems by learning non-linear diffusion processes using efficient iterative solvers. Recent works have demonstrated state-of-the-art results (eg. in modelling single-cell embryo RNA sequences or sampling from complex posteriors) but are limited to learning bridges with only initial and terminal constraints. Our work extends this paradigm by proposing the Iterative Smoothing Bridge (ISB). We integrate Bayesian filtering and optimal control into learning the diffusion process, enabling constrained stochastic processes governed by sparse observations at intermediate stages and terminal constraints. We assess the effectiveness of our method on synthetic and real-world data and show that the ISB generalises well to high-dimensional data, is computationally efficient, and provides accurate estimates of the marginals at intermediate and terminal times.

Probabilistic graphical models (PGMs) provide a compact and flexible framework to model very complex real-life phenomena. They combine the probability theory which deals with uncertainty and logical structure represented by a graph which allows one to cope with the computational complexity and also interpret and communicate the obtained knowledge. In the thesis, we consider two different types of PGMs: Bayesian networks (BNs) which are static, and continuous time Bayesian networks which, as the name suggests, have a temporal component. We are interested in recovering their true structure, which is the first step in learning any PGM. This is a challenging task, which is interesting in itself from the causal point of view, for the purposes of interpretation of the model and the decision-making process. All approaches for structure learning in the thesis are united by the same idea of maximum likelihood estimation with the LASSO penalty. The problem of structure learning is reduced to the problem of finding non-zero coefficients in the LASSO estimator for a generalized linear model. In the case of CTBNs, we consider the problem both for complete and incomplete data. We support the theoretical results with experiments.  ( 2 min )

Methods to detect malignant lesions from screening mammograms are usually trained with fully annotated datasets, where images are labelled with the localisation and classification of cancerous lesions. However, real-world screening mammogram datasets commonly have a subset that is fully annotated and another subset that is weakly annotated with just the global classification (i.e., without lesion localisation). Given the large size of such datasets, researchers usually face a dilemma with the weakly annotated subset: to not use it or to fully annotate it. The first option will reduce detection accuracy because it does not use the whole dataset, and the second option is too expensive given that the annotation needs to be done by expert radiologists. In this paper, we propose a middle-ground solution for the dilemma, which is to formulate the training as a weakly- and semi-supervised learning problem that we refer to as malignant breast lesion detection with incomplete annotations. To address this problem, our new method comprises two stages, namely: 1) pre-training a multi-view mammogram classifier with weak supervision from the whole dataset, and 2) extending the trained classifier to become a multi-view detector that is trained with semi-supervised student-teacher learning, where the training set contains fully and weakly-annotated mammograms. We provide extensive detection results on two real-world screening mammogram datasets containing incomplete annotations, and show that our proposed approach achieves state-of-the-art results in the detection of malignant breast lesions with incomplete annotations.

Simulating abundances of stable water isotopologues, i.e. molecules differing in their isotopic composition, within climate models allows for comparisons with proxy data and, thus, for testing hypotheses about past climate and validating climate models under varying climatic conditions. However, many models are run without explicitly simulating water isotopologues. We investigate the possibility to replace the explicit physics-based simulation of oxygen isotopic composition in precipitation using machine learning methods. These methods estimate isotopic composition at each time step for given fields of surface temperature and precipitation amount. We implement convolutional neural networks (CNNs) based on the successful UNet architecture and test whether a spherical network architecture outperforms the naive approach of treating Earth's latitude-longitude grid as a flat image. Conducting a case study on a last millennium run with the iHadCM3 climate model, we find that roughly 40\% of the temporal variance in the isotopic composition is explained by the emulations on interannual and monthly timescale, with spatially varying emulation quality. A modified version of the standard UNet architecture for flat images yields results that are equally good as the predictions by the spherical CNN. We test generalization to last millennium runs of other climate models and find that while the tested deep learning methods yield the best results on iHadCM3 data, the performance drops when predicting on other models and is comparable to simple pixel-wise linear regression. An extended choice of predictor variables and improving the robustness of learned climate--oxygen isotope relationships should be explored in future work.

Natural Language Processing (NLP) inference is seeing increasing adoption by mobile applications, where on-device inference is desirable for crucially preserving user data privacy and avoiding network roundtrips. Yet, the unprecedented size of an NLP model stresses both latency and memory, creating a tension between the two key resources of a mobile device. To meet a target latency, holding the whole model in memory launches execution as soon as possible but increases one app's memory footprints by several times, limiting its benefits to only a few inferences before being recycled by mobile memory management. On the other hand, loading the model from storage on demand incurs IO as long as a few seconds, far exceeding the delay range satisfying to a user; pipelining layerwise model loading and execution does not hide IO either, due to the high skewness between IO and computation delays. To this end, we propose Speedy Transformer Inference (STI). Built on the key idea of maximizing IO/compute resource utilization on the most important parts of a model, STI reconciles the latency v.s. memory tension via two novel techniques. First, model sharding. STI manages model parameters as independently tunable shards, and profiles their importance to accuracy. Second, elastic pipeline planning with a preload buffer. STI instantiates an IO/compute pipeline and uses a small buffer for preload shards to bootstrap execution without stalling at early stages; it judiciously selects, tunes, and assembles shards per their importance for resource-elastic execution, maximizing inference accuracy. Atop two commodity SoCs, we build STI and evaluate it against a wide range of NLP tasks, under a practical range of target latencies, and on both CPU and GPU. We demonstrate that STI delivers high accuracies with 1-2 orders of magnitude lower memory, outperforming competitive baselines.

Independence testing is a fundamental and classical statistical problem that has been extensively studied in the batch setting when one fixes the sample size before collecting data. However, practitioners often prefer procedures that adapt to the complexity of a problem at hand instead of setting sample size in advance. Ideally, such procedures should (a) allow stopping earlier on easy tasks (and later on harder tasks), hence making better use of available resources, and (b) continuously monitor the data and efficiently incorporate statistical evidence after collecting new data, while controlling the false alarm rate. It is well known that classical batch tests are not tailored for streaming data settings: valid inference after data peeking requires correcting for multiple testing but such corrections generally result in low power. Following the principle of testing by betting, we design sequential kernelized independence tests (SKITs) that overcome such shortcomings. We exemplify our broad framework using bets inspired by kernelized dependence measures, e.g, the Hilbert-Schmidt independence criterion. Our test is valid under non-i.i.d. time-varying settings, for which there exist no batch tests. We demonstrate the power of our approaches on both simulated and real data.

Speech patterns have been identified as potential diagnostic markers for neuropsychiatric conditions. However, most studies only compare a single clinical group to healthy controls, whereas clinical practice often requires differentiating between multiple potential diagnoses (multiclass settings). To address this, we assembled a dataset of repeated recordings from 420 participants (67 with major depressive disorder, 106 with schizophrenia and 46 with autism, as well as matched controls), and tested the performance of a range of conventional machine learning models and advanced Transformer models on both binary and multiclass classification, based on voice and text features. While binary models performed comparably to previous research (F1 scores between 0.54-0.75 for autism spectrum disorder, ASD; 0.67-0.92 for major depressive disorder, MDD; and 0.71-0.83 for schizophrenia); when differentiating between multiple diagnostic groups performance decreased markedly (F1 scores between 0.35-0.44 for ASD, 0.57-0.75 for MDD, 0.15-0.66 for schizophrenia, and 0.38-0.52 macro F1). Combining voice and text-based models yielded increased performance, suggesting that they capture complementary diagnostic information. Our results indicate that models trained on binary classification may learn to rely on markers of generic differences between clinical and non-clinical populations, or markers of clinical features that overlap across conditions, rather than identifying markers specific to individual conditions. We provide recommendations for future research in the field, suggesting increased focus on developing larger transdiagnostic datasets that include more fine-grained clinical features, and that can support the development of models that better capture the complexity of neuropsychiatric conditions and naturalistic diagnostic assessment.

Software Defined Networks have opened the door to statistical and AI-based techniques to improve efficiency of networking. Especially to ensure a certain Quality of Service (QoS) for specific applications by routing packets with awareness on content nature (VoIP, video, files, etc.) and its needs (latency, bandwidth, etc.) to use efficiently resources of a network. Monitoring and predicting various Key Performance Indicators (KPIs) at any level may handle such problems while preserving network bandwidth. The question addressed in this work is the design of efficient, low-cost adaptive algorithms for KPI estimation, monitoring and prediction. We focus on end-to-end latency prediction, for which we illustrate our approaches and results on data obtained from a public generator provided after the recent international challenge on GNN [12]. In this paper, we improve our previously proposed low-cost estimators [6] by adding the adaptive dimension, and show that the performances are minimally modified while gaining the ability to track varying networks.

Vision Transformers (ViTs) are becoming a very popular paradigm for vision tasks as they achieve state-of-the-art performance on image classification. However, although early works implied that this network structure had increased robustness against adversarial attacks, some works argue ViTs are still vulnerable. This paper presents our first attempt toward detecting adversarial attacks during inference time using the network's input and outputs as well as latent features. We design four quantifications (or derivatives) of input, output, and latent vectors of ViT-based models that provide a signature of the inference, which could be beneficial for the attack detection, and empirically study their behavior over clean samples and adversarial samples. The results demonstrate that the quantifications from input (images) and output (posterior probabilities) are promising for distinguishing clean and adversarial samples, while latent vectors offer less discriminative power, though they give some insights on how adversarial perturbations work.

Robustness and safety are critical for the trustworthy deployment of deep reinforcement learning in real-world decision making applications. In particular, we require algorithms that can guarantee robust, safe performance in the presence of general environment disturbances, while making limited assumptions on the data collection process during training. In this work, we propose a safe reinforcement learning framework with robustness guarantees through the use of an optimal transport cost uncertainty set. We provide an efficient, theoretically supported implementation based on Optimal Transport Perturbations, which can be applied in a completely offline fashion using only data collected in a nominal training environment. We demonstrate the robust, safe performance of our approach on a variety of continuous control tasks with safety constraints in the Real-World Reinforcement Learning Suite.

Motivated by time series forecasting, we study Online Linear Optimization (OLO) under the coupling of two problem structures: the domain is unbounded, and the performance of an algorithm is measured by its dynamic regret. Handling either of them requires the regret bound to depend on certain complexity measure of the comparator sequence -- specifically, the comparator norm in unconstrained OLO, and the path length in dynamic regret. In contrast to a recent work (Jacobsen & Cutkosky, 2022) that adapts to the combination of these two complexity measures, we propose an alternative complexity measure by recasting the problem into sparse coding. Adaptivity can be achieved by a simple modular framework, which naturally exploits more intricate prior knowledge of the environment. Along the way, we also present a new gradient adaptive algorithm for static unconstrained OLO, designed using novel continuous time machinery. This could be of independent interest.

We initiate the study of strategic behavior in screening processes with multiple classifiers. We focus on two contrasting settings: a conjunctive setting in which an individual must satisfy all classifiers simultaneously, and a sequential setting in which an individual to succeed must satisfy classifiers one at a time. In other words, we introduce the combination of strategic classification with screening processes. We show that sequential screening pipelines exhibit new and surprising behavior where individuals can exploit the sequential ordering of the tests to zig-zag between classifiers without having to simultaneously satisfy all of them. We demonstrate an individual can obtain a positive outcome using a limited manipulation budget even when far from the intersection of the positive regions of every classifier. Finally, we consider a learner whose goal is to design a sequential screening process that is robust to such manipulations, and provide a construction for the learner that optimizes a natural objective.

Trustworthy machine learning aims at combating distributional uncertainties in training data distributions compared to population distributions. Typical treatment frameworks include the Bayesian approach, (min-max) distributionally robust optimization (DRO), and regularization. However, two issues have to be raised: 1) All these methods are biased estimators of the true optimal cost; 2) the prior distribution in the Bayesian method, the radius of the distributional ball in the DRO method, and the regularizer in the regularization method are difficult to specify. This paper studies a new framework that unifies the three approaches and that addresses the two challenges mentioned above. The asymptotic properties (e.g., consistency and asymptotic normalities), non-asymptotic properties (e.g., unbiasedness and generalization error bound), and a Monte--Carlo-based solution method of the proposed model are studied. The new model reveals the trade-off between the robustness to the unseen data and the specificity to the training data.

Pitch and meter are two fundamental music features for symbolic music generation tasks, where researchers usually choose different encoding methods depending on specific goals. However, the advantages and drawbacks of different encoding methods have not been frequently discussed. This paper presents a integrated analysis of the influence of two low-level feature, pitch and meter, on the performance of a token-based sequential music generation model. First, the commonly used MIDI number encoding and a less used class-octave encoding are compared. Second, an dense intra-bar metric grid is imposed to the encoded sequence as auxiliary features. Different complexity and resolutions of the metric grid are compared. For complexity, the single token approach and the multiple token approach are compared; for grid resolution, 0 (ablation), 1 (bar-level), 4 (downbeat-level) 12, (8th-triplet-level) up to 64 (64th-note-grid-level) are compared; for duration resolution, 4, 8, 12 and 16 subdivisions per beat are compared. All different encodings are tested on separately trained Transformer-XL models for a melody generation task. Regarding distribution similarity of several objective evaluation metrics to the test dataset, results suggest that the class-octave encoding significantly outperforms the taken-for-granted MIDI encoding on pitch-related metrics; finer grids and multiple-token grids improve the rhythmic quality, but also suffer from over-fitting at early training stage. Results display a general phenomenon of over-fitting from two aspects, the pitch embedding space and the test loss of the single-token grid encoding. From a practical perspective, we both demonstrate the feasibility and raise the concern of easy over-fitting problem of using smaller networks and lower embedding dimensions on the generation task. The findings can also contribute to futural models in terms of feature engineering.

We establish estimations for the parameters of the output distribution for the softmax activation function using the probit function. As an application, we develop a new efficient Bayesian learning algorithm for fully connected neural networks, where training and predictions are performed within the Bayesian inference framework in closed-form. This approach allows sequential learning and requires no computationally expensive gradient calculation and Monte Carlo sampling. Our work generalizes the Bayesian algorithm for a single perceptron for binary classification in \cite{H} to multi-layer perceptrons for multi-class classification.

We study the design decisions of publicly available instruction tuning methods, and break down the development of Flan 2022 (Chung et al., 2022). Through careful ablation studies on the Flan Collection of tasks and methods, we tease apart the effect of design decisions which enable Flan-T5 to outperform prior work by 3-17%+ across evaluation settings. We find task balancing and enrichment techniques are overlooked but critical to effective instruction tuning, and in particular, training with mixed prompt settings (zero-shot, few-shot, and chain-of-thought) actually yields stronger (2%+) performance in all settings. In further experiments, we show Flan-T5 requires less finetuning to converge higher and faster than T5 on single downstream tasks, motivating instruction-tuned models as more computationally-efficient starting checkpoints for new tasks. Finally, to accelerate research on instruction tuning, we make the Flan 2022 collection of datasets, templates, and methods publicly available at https://github.com/google-research/FLAN/tree/main/flan/v2.

Numerical approximations of partial differential equations (PDEs) are routinely employed to formulate the solution of physics, engineering and mathematical problems involving functions of several variables, such as the propagation of heat or sound, fluid flow, elasticity, electrostatics, electrodynamics, and more. While this has led to solving many complex phenomena, there are still significant limitations. Conventional approaches such as Finite Element Methods (FEMs) and Finite Differential Methods (FDMs) require considerable time and are computationally expensive. In contrast, machine learning-based methods such as neural networks are faster once trained, but tend to be restricted to a specific discretization. This article aims to provide a comprehensive summary of conventional methods and recent machine learning-based methods to approximate PDEs numerically. Furthermore, we highlight several key architectures centered around the neural operator, a novel and fast approach (1000x) to learning the solution operator of a PDE. We will note how these new computational approaches can bring immense advantages in tackling many problems in fundamental and applied physics.

The adoption of deep neural networks (DNNs) in safety-critical contexts is often prevented by the lack of effective means to explain their results, especially when they are erroneous. In our previous work, we proposed a white-box approach (HUDD) and a black-box approach (SAFE) to automatically characterize DNN failures. They both identify clusters of similar images from a potentially large set of images leading to DNN failures. However, the analysis pipelines for HUDD and SAFE were instantiated in specific ways according to common practices, deferring the analysis of other pipelines to future work. In this paper, we report on an empirical evaluation of 99 different pipelines for root cause analysis of DNN failures. They combine transfer learning, autoencoders, heatmaps of neuron relevance, dimensionality reduction techniques, and different clustering algorithms. Our results show that the best pipeline combines transfer learning, DBSCAN, and UMAP. It leads to clusters almost exclusively capturing images of the same failure scenario, thus facilitating root cause analysis. Further, it generates distinct clusters for each root cause of failure, thus enabling engineers to detect all the unsafe scenarios. Interestingly, these results hold even for failure scenarios that are only observed in a small percentage of the failing images.

Motion prediction for automated vehicles in complex environments is a difficult task that is to be mastered when automated vehicles are to be used in arbitrary situations. Many factors influence the future motion of traffic participants starting with traffic rules and reaching from the interaction between each other to personal habits of human drivers. Therefore we present a novel approach for a graph-based prediction based on a heterogeneous holistic graph representation that combines temporal information, properties and relations between traffic participants as well as relations with static elements like the road network. The information are encoded through different types of nodes and edges that both are enriched with arbitrary features. We evaluated the approach on the INTERACTION and the Argoverse dataset and conducted an informative ablation study to demonstrate the benefit of different types of information for the motion prediction quality.

Domain adaptation has attracted a great deal of attention in the machine learning community, but it requires access to source data, which often raises concerns about data privacy. We are thus motivated to address these issues and propose a simple yet efficient method. This work treats domain adaptation as an unsupervised clustering problem and trains the target model without access to the source data. Specifically, we propose a loss function called contrast and clustering (CaC), where a positive pair term pulls neighbors belonging to the same class together in the feature space to form clusters, while a negative pair term pushes samples of different classes apart. In addition, extended neighbors are taken into account by querying the nearest neighbor indexes in the memory bank to mine for more valuable negative pairs. Extensive experiments on three common benchmarks, VisDA, Office-Home and Office-31, demonstrate that our method achieves state-of-the-art performance. The code will be made publicly available at https://github.com/yukilulu/CaC.

Spatio-temporal graph neural networks (STGNN) have emerged as the dominant model for spatio-temporal graph (STG) forecasting. Despite their success, they fail to model intrinsic uncertainties within STG data, which cripples their practicality in downstream tasks for decision-making. To this end, this paper focuses on probabilistic STG forecasting, which is challenging due to the difficulty in modeling uncertainties and complex ST dependencies. In this study, we present the first attempt to generalize the popular denoising diffusion probabilistic models to STGs, leading to a novel non-autoregressive framework called DiffSTG, along with the first denoising network UGnet for STG in the framework. Our approach combines the spatio-temporal learning capabilities of STGNNs with the uncertainty measurements of diffusion models. Extensive experiments validate that DiffSTG reduces the Continuous Ranked Probability Score (CRPS) by 4%-14%, and Root Mean Squared Error (RMSE) by 2%-7% over existing methods on three real-world datasets.

We introduce a new algorithm promoting sparsity called {\it Support Exploration Algorithm (SEA)} and analyze it in the context of support recovery/model selection problems.The algorithm can be interpreted as an instance of the {\it straight-through estimator (STE)} applied to the resolution of a sparse linear inverse problem. SEA uses a non-sparse exploratory vector and makes it evolve in the input space to select the sparse support. We put to evidence an oracle update rule for the exploratory vector and consider the STE update. The theoretical analysis establishes general sufficient conditions of support recovery. The general conditions are specialized to the case where the matrix $A$ performing the linear measurements satisfies the {\it Restricted Isometry Property (RIP)}.Experiments show that SEA can efficiently improve the results of any algorithm. Because of its exploratory nature, SEA also performs remarkably well when the columns of $A$ are strongly coherent.

We study the stability and convergence of training deep ResNets with gradient descent. Specifically, we show that the parametric branch in the residual block should be scaled down by a factor $\tau =O(1/\sqrt{L})$ to guarantee stable forward/backward process, where $L$ is the number of residual blocks. Moreover, we establish a converse result that the forward process is unbounded when $\tau>L^{-\frac{1}{2}+c}$, for any positive constant $c$. The above two results together establish a sharp value of the scaling factor in determining the stability of deep ResNet. Based on the stability result, we further show that gradient descent finds the global minima if the ResNet is properly over-parameterized, which significantly improves over the previous work with a much larger range of $\tau$ that admits global convergence. Moreover, we show that the convergence rate is independent of the depth, theoretically justifying the advantage of ResNet over vanilla feedforward network. Empirically, with such a factor $\tau$, one can train deep ResNet without normalization layer. Moreover, for ResNets with normalization layer, adding such a factor $\tau$ also stabilizes the training and obtains significant performance gain for deep ResNet.

The fairness of machine learning-based decisions has become an increasingly important focus in the design of supervised machine learning methods. Most fairness approaches optimize a specified trade-off between performance measure(s) (e.g., accuracy, log loss, or AUC) and fairness metric(s) (e.g., demographic parity, equalized odds). This begs the question: are the right performance-fairness trade-offs being specified? We instead re-cast fair machine learning as an imitation learning task by introducing superhuman fairness, which seeks to simultaneously outperform human decisions on multiple predictive performance and fairness measures. We demonstrate the benefits of this approach given suboptimal decisions.

Pairs of similar compounds that only differ by a small structural modification but exhibit a large difference in their binding affinity for a given target are known as activity cliffs (ACs). It has been hypothesised that quantitative structure-activity relationship (QSAR) models struggle to predict ACs and that ACs thus form a major source of prediction error. However, a study to explore the AC-prediction power of modern QSAR methods and its relationship to general QSAR-prediction performance is lacking. We systematically construct nine distinct QSAR models by combining three molecular representation methods (extended-connectivity fingerprints, physicochemical-descriptor vectors and graph isomorphism networks) with three regression techniques (random forests, k-nearest neighbours and multilayer perceptrons); we then use each resulting model to classify pairs of similar compounds as ACs or non-ACs and to predict the activities of individual molecules in three case studies: dopamine receptor D2, factor Xa, and SARS-CoV-2 main protease. We observe low AC-sensitivity amongst the tested models when the activities of both compounds are unknown, but a substantial increase in AC-sensitivity when the actual activity of one of the compounds is given. Graph isomorphism features are found to be competitive with or superior to classical molecular representations for AC-classification and can thus be employed as baseline AC-prediction models or simple compound-optimisation tools. For general QSAR-prediction, however, extended-connectivity fingerprints still consistently deliver the best performance. Our results provide strong support for the hypothesis that indeed QSAR methods frequently fail to predict ACs. We propose twin-network training for deep learning models as a potential future pathway to increase AC-sensitivity and thus overall QSAR performance.

In this paper, we address the problem of estimating the in-hand 6D pose of an object in contact with multiple vision-based tactile sensors. We reason on the possible spatial configurations of the sensors along the object surface. Specifically, we filter contact hypotheses using geometric reasoning and a Convolutional Neural Network (CNN), trained on simulated object-agnostic images, to promote those that better comply with the actual tactile images from the sensors. We use the selected sensors configurations to optimize over the space of 6D poses using a Gradient Descent-based approach. We finally rank the obtained poses by penalizing those that are in collision with the sensors. We carry out experiments in simulation using the DIGIT vision-based sensor with several objects, from the standard YCB model set. The results demonstrate that our approach estimates object poses that are compatible with actual object-sensor contacts in $87.5\%$ of cases while reaching an average positional error in the order of $2$ centimeters. Our analysis also includes qualitative results of experiments with a real DIGIT sensor.

Any representation of data involves arbitrary investigator choices. Because those choices are external to the data-generating process, each choice leads to an exact symmetry, corresponding to the group of transformations that takes one possible representation to another. These are the passive symmetries; they include coordinate freedom, gauge symmetry and units covariance, all of which have led to important results in physics. Our goal is to understand the implications of passive symmetries for machine learning: Which passive symmetries play a role (e.g., permutation symmetry in graph neural networks)? What are dos and don'ts in machine learning practice? We assay conditions under which passive symmetries can be implemented as group equivariances. We also discuss links to causal modeling, and argue that the implementation of passive symmetries is particularly valuable when the goal of the learning problem is to generalize out of sample. While this paper is purely conceptual, we believe that it can have a significant impact on helping machine learning make the transition that took place for modern physics in the first half of the Twentieth century.

Model-based next state prediction and state value prediction are slow to converge. To address these challenges, we do the following: i) Instead of a neural network, we do model-based planning using a parallel memory retrieval system (which we term the slow mechanism); ii) Instead of learning state values, we guide the agent's actions using goal-directed exploration, by using a neural network to choose the next action given the current state and the goal state (which we term the fast mechanism). The goal-directed exploration is trained online using hippocampal replay of visited states and future imagined states every single time step, leading to fast and efficient training. Empirical studies show that our proposed method has a 92% solve rate across 100 episodes in a dynamically changing grid world, significantly outperforming state-of-the-art actor critic mechanisms such as PPO (54%), TRPO (50%) and A2C (24%). Ablation studies demonstrate that both mechanisms are crucial. We posit that the future of Reinforcement Learning (RL) will be to model goals and sub-goals for various tasks, and plan it out in a goal-directed memory-based approach.

The R package DoubleML implements the double/debiased machine learning framework of Chernozhukov et al. (2018). It provides functionalities to estimate parameters in causal models based on machine learning methods. The double machine learning framework consist of three key ingredients: Neyman orthogonality, high-quality machine learning estimation and sample splitting. Estimation of nuisance components can be performed by various state-of-the-art machine learning methods that are available in the mlr3 ecosystem. DoubleML makes it possible to perform inference in a variety of causal models, including partially linear and interactive regression models and their extensions to instrumental variable estimation. The object-oriented implementation of DoubleML enables a high flexibility for the model specification and makes it easily extendable. This paper serves as an introduction to the double machine learning framework and the R package DoubleML. In reproducible code examples with simulated and real data sets, we demonstrate how DoubleML users can perform valid inference based on machine learning methods.

Cerebral microbleeds detection is an important and challenging task. With the gaining popularity of the MRI, the ability to detect cerebral microbleeds also raises. Unfortunately, for radiologists, it is a time-consuming and laborious procedure. For this reason, various solutions to automate this process have been proposed for several years, but none of them is currently used in medical practice. In this context, the need to systematize the existing knowledge and best practices has been recognized as a factor facilitating the imminent synthesis of a real CMBs detection system practically applicable in medicine. To the best of our knowledge, all available publications regarding automatic cerebral microbleeds detection have been gathered, described, and assessed in this paper in order to distinguish the current research state and provide a starting point for future studies.

Curriculum learning (CL) - training using samples that are generated and presented in a meaningful order - was introduced in the machine learning context around a decade ago. While CL has been extensively used and analysed empirically, there has been very little mathematical justification for its advantages. We introduce a CL model for learning the class of k-parities on d bits of a binary string with a neural network trained by stochastic gradient descent (SGD). We show that a wise choice of training examples, involving two or more product distributions, allows to reduce significantly the computational cost of learning this class of functions, compared to learning under the uniform distribution. We conduct experiments to support our analysis. Furthermore, we show that for another class of functions - namely the `Hamming mixtures' - CL strategies involving a bounded number of product distributions are not beneficial, while we conjecture that CL with unbounded many curriculum steps can learn this class efficiently.

A multitude of explainability methods and associated fidelity performance metrics have been proposed to help better understand how modern AI systems make decisions. However, much of the current work has remained theoretical -- without much consideration for the human end-user. In particular, it is not yet known (1) how useful current explainability methods are in practice for more real-world scenarios and (2) how well associated performance metrics accurately predict how much knowledge individual explanations contribute to a human end-user trying to understand the inner-workings of the system. To fill this gap, we conducted psychophysics experiments at scale to evaluate the ability of human participants to leverage representative attribution methods for understanding the behavior of different image classifiers representing three real-world scenarios: identifying bias in an AI system, characterizing the visual strategy it uses for tasks that are too difficult for an untrained non-expert human observer as well as understanding its failure cases. Our results demonstrate that the degree to which individual attribution methods help human participants better understand an AI system varied widely across these scenarios. This suggests a critical need for the field to move past quantitative improvements of current attribution methods towards the development of complementary approaches that provide qualitatively different sources of information to human end-users.

Backdoor attacks are dangerous and difficult to prevent in federated learning (FL), where training data is sourced from untrusted clients over long periods of time. These difficulties arise because: (a) defenders in FL do not have access to raw training data, and (b) a new phenomenon we identify called backdoor leakage causes models trained continuously to eventually suffer from backdoors due to cumulative errors in defense mechanisms. We propose shadow learning, a framework for defending against backdoor attacks in the FL setting under long-range training. Shadow learning trains two models in parallel: a backbone model and a shadow model. The backbone is trained without any defense mechanism to obtain good performance on the main task. The shadow model combines filtering of malicious clients with early-stopping to control the attack success rate even as the data distribution changes. We theoretically motivate our design and show experimentally that our framework significantly improves upon existing defenses against backdoor attacks.

Company financial risk is ubiquitous and early risk assessment for listed companies can avoid considerable losses. Traditional methods mainly focus on the financial statements of companies and lack the complex relationships among them. However, the financial statements are often biased and lagged, making it difficult to identify risks accurately and timely. To address the challenges, we redefine the problem as \textbf{company financial risk assessment on tribe-style graph} by taking each listed company and its shareholders as a tribe and leveraging financial news to build inter-tribe connections. Such tribe-style graphs present different patterns to distinguish risky companies from normal ones. However, most nodes in the tribe-style graph lack attributes, making it difficult to directly adopt existing graph learning methods (e.g., Graph Neural Networks(GNNs)). In this paper, we propose a novel Hierarchical Graph Neural Network (TH-GNN) for Tribe-style graphs via two levels, with the first level to encode the structure pattern of the tribes with contrastive learning, and the second level to diffuse information based on the inter-tribe relations, achieving effective and efficient risk assessment. Extensive experiments on the real-world company dataset show that our method achieves significant improvements on financial risk assessment over previous competing methods. Also, the extensive ablation studies and visualization comprehensively show the effectiveness of our method.

Perturbative availability poisoning (PAP) adds small changes to images to prevent their use for model training. Current research adopts the belief that practical and effective approaches to countering such poisons do not exist. In this paper, we argue that it is time to abandon this belief. We present extensive experiments showing that 12 state-of-the-art PAP methods are vulnerable to Image Shortcut Squeezing (ISS), which is based on simple compression. For example, on average, ISS restores the CIFAR-10 model accuracy to $81.73\%$, surpassing the previous best preprocessing-based countermeasures by $37.97\%$ absolute. ISS also (slightly) outperforms adversarial training and has higher generalizability to unseen perturbation norms and also higher efficiency. Our investigation reveals that the property of PAP perturbations depends on the type of surrogate model used for poison generation, and it explains why a specific ISS compression yields the best performance for a specific type of PAP perturbation. We further test stronger, adaptive poisoning, and show it falls short of being an ideal defense against ISS. Overall, our results demonstrate the importance of considering various (simple) countermeasures to ensure the meaningfulness of analysis carried out during the development of availability poisons.

Software and System logs record runtime information about processes executing within a system. These logs have become the most critical and ubiquitous forms of observability data that help developers understand system behavior, monitor system health and resolve issues. However, the volume of logs generated can be humongous (of the order of petabytes per day) especially for complex distributed systems, such as cloud, search engine, social media, etc. This has propelled a lot of research on developing AI-based log based analytics and intelligence solutions that can process huge volume of raw logs and generate insights. In order to enable users to perform multiple types of AI-based log analysis tasks in a uniform manner, we introduce LogAI (https://github.com/salesforce/logai), a one-stop open source library for log analytics and intelligence. LogAI supports tasks such as log summarization, log clustering and log anomaly detection. It adopts the OpenTelemetry data model, to enable compatibility with different log management platforms. LogAI provides a unified model interface and provides popular time-series, statistical learning and deep learning models. Alongside this, LogAI also provides an out-of-the-box GUI for users to conduct interactive analysis. With LogAI, we can also easily benchmark popular deep learning algorithms for log anomaly detection without putting in redundant effort to process the logs. We have opensourced LogAI to cater to a wide range of applications benefiting both academic research and industrial prototyping.

Recent work has empirically shown that deep neural networks latch on to the Fourier statistics of training data and show increased sensitivity to Fourier-basis directions in the input. Understanding and modifying this Fourier-sensitivity of computer vision models may help improve their robustness. Hence, in this paper we study the frequency sensitivity characteristics of deep neural networks using a principled approach. We first propose a basis trick, proving that unitary transformations of the input-gradient of a function can be used to compute its gradient in the basis induced by the transformation. Using this result, we propose a general measure of any differentiable model's Fourier-sensitivity using the unitary Fourier-transform of its input-gradient. When applied to deep neural networks, we find that computer vision models are consistently sensitive to particular frequencies dependent on the dataset, training method and architecture. Based on this measure, we further propose a Fourier-regularization framework to modify the Fourier-sensitivities and frequency bias of models. Using our proposed regularizer-family, we demonstrate that deep neural networks obtain improved classification accuracy on robustness evaluations.

We study the connection between multicalibration and boosting for squared error regression. First we prove a useful characterization of multicalibration in terms of a ``swap regret'' like condition on squared error. Using this characterization, we give an exceedingly simple algorithm that can be analyzed both as a boosting algorithm for regression and as a multicalibration algorithm for a class H that makes use only of a standard squared error regression oracle for H. We give a weak learning assumption on H that ensures convergence to Bayes optimality without the need to make any realizability assumptions -- giving us an agnostic boosting algorithm for regression. We then show that our weak learning assumption on H is both necessary and sufficient for multicalibration with respect to H to imply Bayes optimality. We also show that if H satisfies our weak learning condition relative to another class C then multicalibration with respect to H implies multicalibration with respect to C. Finally we investigate the empirical performance of our algorithm experimentally using an open source implementation that we make available. Our code repository can be found at https://github.com/Declancharrison/Level-Set-Boosting.

Classical machine learning (CML) occupies nearly half of machine learning pipelines in production applications. Unfortunately, it fails to utilize the state-of-the-practice devices fully and performs poorly. Without a unified framework, the hybrid deployments of deep learning (DL) and CML also suffer from severe performance and portability issues. This paper presents the design of a unified compiler, called CMLCompiler, for CML inference. We propose two unified abstractions: operator representations and extended computational graphs. The CMLCompiler framework performs the conversion and graph optimization based on two unified abstractions, then outputs an optimized computational graph to DL compilers or frameworks. We implement CMLCompiler on TVM. The evaluation shows CMLCompiler's portability and superior performance. It achieves up to 4.38x speedup on CPU, 3.31x speedup on GPU, and 5.09x speedup on IoT devices, compared to the state-of-the-art solutions -- scikit-learn, intel sklearn, and hummingbird. Our performance of CML and DL mixed pipelines achieves up to 3.04x speedup compared with cross-framework implementations.

Anomaly detection methods are part of the systems where rare events may endanger an operation's profitability, safety, and environmental aspects. Although many state-of-the-art anomaly detection methods were developed to date, their deployment is limited to the operation conditions present during the model training. Online anomaly detection brings the capability to adapt to data drifts and change points that may not be represented during model development resulting in prolonged service life. This paper proposes an online anomaly detection algorithm for existing real-time infrastructures where low-latency detection is required and novel patterns in data occur unpredictably. The online inverse cumulative distribution-based approach is introduced to eliminate common problems of offline anomaly detectors, meanwhile providing dynamic process limits to normal operation. The benefit of the proposed method is the ease of use, fast computation, and deployability as shown in two case studies of real microgrid operation data.

Demographic parity is the most widely recognized measure of group fairness in machine learning, which ensures equal treatment of different demographic groups. Numerous works aim to achieve demographic parity by pursuing the commonly used metric $\Delta DP$. Unfortunately, in this paper, we reveal that the fairness metric $\Delta DP$ can not precisely measure the violation of demographic parity, because it inherently has the following drawbacks: \textit{i)} zero-value $\Delta DP$ does not guarantee zero violation of demographic parity, \textit{ii)} $\Delta DP$ values can vary with different classification thresholds. To this end, we propose two new fairness metrics, \textsf{A}rea \textsf{B}etween \textsf{P}robability density function \textsf{C}urves (\textsf{ABPC}) and \textsf{A}rea \textsf{B}etween \textsf{C}umulative density function \textsf{C}urves (\textsf{ABCC}), to precisely measure the violation of demographic parity in distribution level. The new fairness metrics directly measure the difference between the distributions of the prediction probability for different demographic groups. Thus our proposed new metrics enjoy: \textit{i)} zero-value \textsf{ABCC}/\textsf{ABPC} guarantees zero violation of demographic parity; \textit{ii)} \textsf{ABCC}/\textsf{ABPC} guarantees demographic parity while the classification threshold adjusted. We further re-evaluate the existing fair models with our proposed fairness metrics and observe different fairness behaviors of those models under the new metrics.

We study a recommender system for quantum data using the linear contextual bandit framework. In each round, a learner receives an observable (the context) and has to recommend from a finite set of unknown quantum states (the actions) which one to measure. The learner has the goal of maximizing the reward in each round, that is the outcome of the measurement on the unknown state. Using this model we formulate the low energy quantum state recommendation problem where the context is a Hamiltonian and the goal is to recommend the state with the lowest energy. For this task, we study two families of contexts: the Ising model and a generalized cluster model. We observe that if we interpret the actions as different phases of the models then the recommendation is done by classifying the correct phase of the given Hamiltonian and the strategy can be interpreted as an online quantum phase classifier.

We introduce a joint diffusion model that simultaneously learns meaningful internal representations fit for both generative and predictive tasks. Joint machine learning models that allow synthesizing and classifying data often offer uneven performance between those tasks or are unstable to train. In this work, we depart from a set of empirical observations that indicate the usefulness of internal representations built by contemporary deep diffusion-based generative models in both generative and predictive settings. We then introduce an extension of the vanilla diffusion model with a classifier that allows for stable joint training with shared parametrization between those objectives. The resulting joint diffusion model offers superior performance across various tasks, including generative modeling, semi-supervised classification, and domain adaptation.

Accurately clustering high-dimensional measurements is vital for adequately analyzing scientific data. Deep learning machinery has remarkably improved clustering capabilities in recent years due to its ability to extract meaningful representations. In this work, we are given unlabeled samples from multiple source domains, and we aim to learn a shared classifier that assigns the examples to various clusters. Evaluation is done by using the classifier for predicting cluster assignments in a previously unseen domain. This setting generalizes the problem of unsupervised domain generalization to the case in which no supervised learning samples are given (completely unsupervised). Towards this goal, we present an end-to-end model and evaluate its capabilities on several multi-domain image datasets. Specifically, we demonstrate that our model is more accurate than schemes that require fine-tuning using samples from the target domain or some level of supervision.

Root Cause Analysis (RCA) plays an indispensable role in distributed data system maintenance and operations, as it bridges the gap between fault detection and system recovery. Existing works mainly study multidimensional localization or graph-based root cause localization. This paper opens up the possibilities of exploiting the recently developed framework of explainable AI (XAI) for the purpose of RCA. In particular, we propose BALANCE (BAyesian Linear AttributioN for root CausE localization), which formulates the problem of RCA through the lens of attribution in XAI and seeks to explain the anomalies in the target KPIs by the behavior of the candidate root causes. BALANCE consists of three innovative components. First, we propose a Bayesian multicollinear feature selection (BMFS) model to predict the target KPIs given the candidate root causes in a forward manner while promoting sparsity and concurrently paying attention to the correlation between the candidate root causes. Second, we introduce attribution analysis to compute the attribution score for each candidate in a backward manner. Third, we merge the estimated root causes related to each KPI if there are multiple KPIs. We extensively evaluate the proposed BALANCE method on one synthesis dataset as well as three real-world RCA tasks, that is, bad SQL localization, container fault localization, and fault type diagnosis for Exathlon. Results show that BALANCE outperforms the state-of-the-art (SOTA) methods in terms of accuracy with the least amount of running time, and achieves at least $6\%$ notably higher accuracy than SOTA methods for real tasks. BALANCE has been deployed to production to tackle real-world RCA problems, and the online results further advocate its usage for real-time diagnosis in distributed data systems.

Hard negative mining has shown effective in enhancing self-supervised contrastive learning (CL) on diverse data types, including graph contrastive learning (GCL). Existing hardness-aware CL methods typically treat negative instances that are most similar to the anchor instance as hard negatives, which helps improve the CL performance, especially on image data. However, this approach often fails to identify the hard negatives but leads to many false negatives on graph data. This is mainly due to that the learned graph representations are not sufficiently discriminative due to over-smooth representations and/or non-i.i.d. issues in graph data. To tackle this problem, this paper proposes a novel approach that builds a discriminative model on collective affinity information (i.e, two sets of pairwise affinities between the negative instances and the anchor instance) to mine hard negatives in GCL. In particular, the proposed approach evaluates how confident/uncertain the discriminative model is about the affinity of each negative instance to an anchor instance to determine its hardness weight relative to the anchor instance. This uncertainty information is then incorporated into existing GCL loss functions via a weighting term to enhance their performance. The enhanced GCL is theoretically grounded that the resulting GCL loss is equivalent to a triplet loss with an adaptive margin being exponentially proportional to the learned uncertainty of each negative instance. Extensive experiments on 10 graph datasets show that our approach i) consistently enhances different state-of-the-art GCL methods in both graph and node classification tasks, and ii) significantly improves their robustness against adversarial attacks.

Context and motivation: The development and operation of critical software that contains machine learning (ML) models requires diligence and established processes. Especially the training data used during the development of ML models have major influences on the later behaviour of the system. Runtime monitors are used to provide guarantees for that behaviour. Question / problem: We see major uncertainty in how to specify training data and runtime monitoring for critical ML models and by this specifying the final functionality of the system. In this interview-based study we investigate the underlying challenges for these difficulties. Principal ideas/results: Based on ten interviews with practitioners who develop ML models for critical applications in the automotive and telecommunication sector, we identified 17 underlying challenges in 6 challenge groups that relate to the challenge of specifying training data and runtime monitoring. Contribution: The article provides a list of the identified underlying challenges related to the difficulties practitioners experience when specifying training data and runtime monitoring for ML models. Furthermore, interconnection between the challenges were found and based on these connections recommendation proposed to overcome the root causes for the challenges.

Many real-time applications (e.g., Augmented/Virtual Reality, cognitive assistance) rely on Deep Neural Networks (DNNs) to process inference tasks. Edge computing is considered a key infrastructure to deploy such applications, as moving computation close to the data sources enables us to meet stringent latency and throughput requirements. However, the constrained nature of edge networks poses several additional challenges to the management of inference workloads: edge clusters can not provide unlimited processing power to DNN models, and often a trade-off between network and processing time should be considered when it comes to end-to-end delay requirements. In this paper, we focus on the problem of scheduling inference queries on DNN models in edge networks at short timescales (i.e., few milliseconds). By means of simulations, we analyze several policies in the realistic network settings and workloads of a large ISP, highlighting the need for a dynamic scheduling policy that can adapt to network conditions and workloads. We therefore design ASET, a Reinforcement Learning based scheduling algorithm able to adapt its decisions according to the system conditions. Our results show that ASET effectively provides the best performance compared to static policies when scheduling over a distributed pool of edge resources.

In many practical settings, a combinatorial problem must be repeatedly solved with similar, but distinct parameters w. Yet, w is not directly observed; only contextual data d that correlates with w is available. It is tempting to use a neural network to predict w given d, but training such a model requires reconciling the discrete nature of combinatorial optimization with the gradient-based frameworks used to train neural networks. One approach to overcoming this issue is to consider a continuous relaxation of the combinatorial problem. While existing such approaches have shown to be highly effective on small problems (10-100 variables) they do not scale well to large problems. In this work, we show how recent results in operator splitting can be used to design such a system which is easy to train and scales effortlessly to problems with thousands of variables.

In this work we study the robustness to adversarial attacks, of early-stopping strategies on gradient-descent (GD) methods for linear regression. More precisely, we show that early-stopped GD is optimally robust (up to an absolute constant) against Euclidean-norm adversarial attacks. However, we show that this strategy can be arbitrarily sub-optimal in the case of general Mahalanobis attacks. This observation is compatible with recent findings in the case of classification~\cite{Vardi2022GradientMP} that show that GD provably converges to non-robust models. To alleviate this issue, we propose to apply instead a GD scheme on a transformation of the data adapted to the attack. This data transformation amounts to apply feature-depending learning rates and we show that this modified GD is able to handle any Mahalanobis attack, as well as more general attacks under some conditions. Unfortunately, choosing such adapted transformations can be hard for general attacks. To the rescue, we design a simple and tractable estimator whose adversarial risk is optimal up to within a multiplicative constant of 1.1124 in the population regime, and works for any norm.

Force Sensing and Force Control are essential to many industrial applications. Typically, a 6-axis Force/Torque (F/T) sensor is mounted between the robot's wrist and the end-effector in order to measure the forces and torques exerted by the environment onto the robot (the external wrench). Although a typical 6-axis F/T sensor can provide highly accurate measurements, it is expensive and vulnerable to drift and external impacts. Existing methods aiming at estimating the external wrench using only the robot's internal signals are limited in scope: for example, wrench estimation accuracy was mostly validated in free-space motions and simple contacts as opposed to tasks like assembly that require high-precision force control. Here we present a Neural Network based method and argue that by devoting particular attention to the training data structure, it is possible to accurately estimate the external wrench in a wide range of scenarios based solely on internal signals. As an illustration, we demonstrate a pin insertion experiment with 100-micron clearance and a hand-guiding experiment, both performed without external F/T sensors or joint torque sensors. Our result opens the possibility of equipping the existing 2.7 million industrial robots with Force Sensing and Force Control capabilities without any additional hardware.

When training deep neural networks, keeping all tensors in high precision (e.g., 32-bit or even 16-bit floats) is often wasteful. However, keeping all tensors in low precision (e.g., 8-bit floats) can lead to unacceptable accuracy loss. Hence, it is important to use a precision assignment -- a mapping from all tensors (arising in training) to precision levels (high or low) -- that keeps most of the tensors in low precision and leads to sufficiently accurate models. We provide a technique that explores this memory-accuracy tradeoff by generating precision assignments that (i) use less memory and (ii) lead to more accurate models at the same time, compared to the precision assignments considered by prior work in low-precision floating-point training. Our method typically provides > 2x memory reduction over a baseline precision assignment while preserving training accuracy, and gives further reductions by trading off accuracy. Compared to other baselines which sometimes cause training to diverge, our method provides similar or better memory reduction while avoiding divergence.

Model Predictive Control (MPC) is attracting tremendous attention in the autonomous driving task as a powerful control technique. The success of an MPC controller strongly depends on an accurate internal dynamics model. However, the static parameters, usually learned by system identification, often fail to adapt to both internal and external perturbations in real-world scenarios. In this paper, we firstly (1) reformulate the problem as a Partially Observed Markov Decision Process (POMDP) that absorbs the uncertainties into observations and maintains Markov property into hidden states; and (2) learn a recurrent policy continually adapting the parameters of the dynamics model via Recurrent Reinforcement Learning (RRL) for optimal and adaptive control; and (3) finally evaluate the proposed algorithm (referred as $\textit{MPC-RRL}$) in CARLA simulator and leading to robust behaviours under a wide range of perturbations.

Population-wise matching of the cortical fold is necessary to identify biomarkers of neurological or psychiatric disorders. The difficulty comes from the massive interindividual variations in the morphology and spatial organization of the folds. This task is challenging at both methodological and conceptual levels. In the widely used registration-based techniques, these variations are considered as noise and the matching of folds is only implicit. Alternative approaches are based on the extraction and explicit identification of the cortical folds. In particular, representing cortical folding patterns as graphs of sulcal basins-termed sulcal graphs-enables to formalize the task as a graph-matching problem. In this paper, we propose to address the problem of sulcal graph matching directly at the population level using multi-graph matching techniques. First, we motivate the relevance of multi-graph matching framework in this context. We then introduce a procedure to generate populations of artificial sulcal graphs, which allows us benchmarking several state of the art multi-graph matching methods. Our results on both artificial and real data demonstrate the effectiveness of multi-graph matching techniques to obtain a population-wise consistent labeling of cortical folds at the sulcal basins level.

As a prevalent problem in online advertising, CTR prediction has attracted plentiful attention from both academia and industry. Recent studies have been reported to establish CTR prediction models in the graph neural networks (GNNs) framework. However, most of GNNs-based models handle feature interactions in a complete graph, while ignoring causal relationships among features, which results in a huge drop in the performance on out-of-distribution data. This paper is dedicated to developing a causality-based CTR prediction model in the GNNs framework (Causal-GNN) integrating representations of feature graph, user graph and ad graph in the context of online advertising. In our model, a structured representation learning method (GraphFwFM) is designed to capture high-order representations on feature graph based on causal discovery among field features in gated graph neural networks (GGNNs), and GraphSAGE is employed to obtain graph representations of users and ads. Experiments conducted on three public datasets demonstrate the superiority of Causal-GNN in AUC and Logloss and the effectiveness of GraphFwFM in capturing high-order representations on causal feature graph.

A recent advancement in the domain of biomedical Entity Linking is the development of powerful two-stage algorithms, an initial candidate retrieval stage that generates a shortlist of entities for each mention, followed by a candidate ranking stage. However, the effectiveness of both stages are inextricably dependent on computationally expensive components. Specifically, in candidate retrieval via dense representation retrieval it is important to have hard negative samples, which require repeated forward passes and nearest neighbour searches across the entire entity label set throughout training. In this work, we show that pairing a proxy-based metric learning loss with an adversarial regularizer provides an efficient alternative to hard negative sampling in the candidate retrieval stage. In particular, we show competitive performance on the recall@1 metric, thereby providing the option to leave out the expensive candidate ranking step. Finally, we demonstrate how the model can be used in a zero-shot setting to discover out of knowledge base biomedical entities.

We investigate the problem of stochastic, combinatorial multi-armed bandits where the learner only has access to bandit feedback and the reward function can be non-linear. We provide a general framework for adapting discrete offline approximation algorithms into sublinear $\alpha$-regret methods that only require bandit feedback, achieving $\mathcal{O}\left(T^\frac{2}{3}\log(T)^\frac{1}{3}\right)$ expected cumulative $\alpha$-regret dependence on the horizon $T$. The framework only requires the offline algorithms to be robust to small errors in function evaluation. The adaptation procedure does not even require explicit knowledge of the offline approximation algorithm -- the offline algorithm can be used as black box subroutine. To demonstrate the utility of the proposed framework, the proposed framework is applied to multiple problems in submodular maximization, adapting approximation algorithms for cardinality and for knapsack constraints. The new CMAB algorithms for knapsack constraints outperform a full-bandit method developed for the adversarial setting in experiments with real-world data.

Recent work has shown that automatic differentiation over the reals is almost always correct in a mathematically precise sense. However, actual programs work with machine-representable numbers (e.g., floating-point numbers), not reals. In this paper, we study the correctness of automatic differentiation when the parameter space of a neural network consists solely of machine-representable numbers. For a neural network with bias parameters, we prove that automatic differentiation is correct at all parameters where the network is differentiable. In contrast, it is incorrect at all parameters where the network is non-differentiable, since it never informs non-differentiability. To better understand this non-differentiable set of parameters, we prove a tight bound on its size, which is linear in the number of non-differentiabilities in activation functions, and provide a simple necessary and sufficient condition for a parameter to be in this set. We further prove that automatic differentiation always computes a Clarke subderivative, even on the non-differentiable set. We also extend these results to neural networks possibly without bias parameters.

Self-distillation (SD) is the process of first training a \enquote{teacher} model and then using its predictions to train a \enquote{student} model with the \textit{same} architecture. Specifically, the student's objective function is $\big(\xi*\ell(\text{teacher's predictions}, \text{ student's predictions}) + (1-\xi)*\ell(\text{given labels}, \text{ student's predictions})\big)$, where $\ell$ is some loss function and $\xi$ is some parameter $\in [0,1]$. Empirically, SD has been observed to provide performance gains in several settings. In this paper, we theoretically characterize the effect of SD in two supervised learning problems with \textit{noisy labels}. We first analyze SD for regularized linear regression and show that in the high label noise regime, the optimal value of $\xi$ that minimizes the expected error in estimating the ground truth parameter is surprisingly greater than 1. Empirically, we show that $\xi > 1$ works better than $\xi \leq 1$ even with the cross-entropy loss for several classification datasets when 50\% or 30\% of the labels are corrupted. Further, we quantify when optimal SD is better than optimal regularization. Next, we analyze SD in the case of logistic regression for binary classification with random label corruption and quantify the range of label corruption in which the student outperforms the teacher in terms of accuracy. To our knowledge, this is the first result of its kind for the cross-entropy loss.

Modeling spatiotemporal dynamical systems is a fundamental challenge in machine learning. Transformer models have been very successful in NLP and computer vision where they provide interpretable representations of data. However, a limitation of transformers in modeling continuous dynamical systems is that they are fundamentally discrete time and space models and thus have no guarantees regarding continuous sampling. To address this challenge, we present the Continuous Spatiotemporal Transformer (CST), a new transformer architecture that is designed for the modeling of continuous systems. This new framework guarantees a continuous and smooth output via optimization in Sobolev space. We benchmark CST against traditional transformers as well as other spatiotemporal dynamics modeling methods and achieve superior performance in a number of tasks on synthetic and real systems, including learning brain dynamics from calcium imaging data.

A core task in precision agriculture is the identification of climatic and ecological conditions that are advantageous for a given crop. The most succinct approach is geolocation, which is concerned with locating the native region of a given sample based on its genetic makeup. Here, we investigate genomic geolocation of Populus trichocarpa, or poplar, which has been identified by the US Department of Energy as a fast-rotation biofuel crop to be harvested nationwide. In particular, we approach geolocation from a reference-free perspective, circumventing the need for compute-intensive processes such as variant calling and alignment. Our model, MashNet, predicts latitude and longitude for poplar trees from randomly-sampled, unaligned sequence fragments. We show that our model performs comparably to Locator, a state-of-the-art method based on aligned whole-genome sequence data. MashNet achieves an error of 34.0 km^2 compared to Locator's 22.1 km^2. MashNet allows growers to quickly and efficiently identify natural varieties that will be most productive in their growth environment based on genotype. This paper explores geolocation for precision agriculture while providing a framework and data source for further development by the machine learning community.

In combinatorial causal bandits (CCB), the learning agent chooses a subset of variables in each round to intervene and collects feedback from the observed variables to minimize expected regret or sample complexity. Previous works study this problem in both general causal models and binary generalized linear models (BGLMs). However, all of them require prior knowledge of causal graph structure. This paper studies the CCB problem without the graph structure on binary general causal models and BGLMs. We first provide an exponential lower bound of cumulative regrets for the CCB problem on general causal models. To overcome the exponentially large space of parameters, we then consider the CCB problem on BGLMs. We design a regret minimization algorithm for BGLMs even without the graph skeleton and show that it still achieves $O(\sqrt{T}\ln T)$ expected regret. This asymptotic regret is the same as the state-of-art algorithms relying on the graph structure. Moreover, we sacrifice the regret to $O(T^{\frac{2}{3}}\ln T)$ to remove the weight gap covered by the asymptotic notation. At last, we give some discussions and algorithms for pure exploration of the CCB problem without the graph structure.

To achieve scalable and accurate inference for latent Gaussian processes, we propose a variational approximation based on a family of Gaussian distributions whose covariance matrices have sparse inverse Cholesky (SIC) factors. We combine this variational approximation of the posterior with a similar and efficient SIC-restricted Kullback-Leibler-optimal approximation of the prior. We then focus on a particular SIC ordering and nearest-neighbor-based sparsity pattern resulting in highly accurate prior and posterior approximations. For this setting, our variational approximation can be computed via stochastic gradient descent in polylogarithmic time per iteration. We provide numerical comparisons showing that the proposed double-Kullback-Leibler-optimal Gaussian-process approximation (DKLGP) can sometimes be vastly more accurate than alternative approaches such as inducing-point and mean-field approximations at similar computational complexity.

Recent work has shown that, in generative modeling, cross-entropy loss improves smoothly with model size and training compute, following a power law plus constant scaling law. One challenge in extending these results to reinforcement learning is that the main performance objective of interest, mean episode return, need not vary smoothly. To overcome this, we introduce *intrinsic performance*, a monotonic function of the return defined as the minimum compute required to achieve the given return across a family of models of different sizes. We find that, across a range of environments, intrinsic performance scales as a power law in model size and environment interactions. Consequently, as in generative modeling, the optimal model size scales as a power law in the training compute budget. Furthermore, we study how this relationship varies with the environment and with other properties of the training setup. In particular, using a toy MNIST-based environment, we show that varying the "horizon length" of the task mostly changes the coefficient but not the exponent of this relationship.

Multi-task learning (MTL) aims at solving multiple related tasks simultaneously and has experienced rapid growth in recent years. However, MTL models often suffer from performance degeneration with negative transfer due to learning several tasks simultaneously. Some related work attributed the source of the problem is the conflicting gradients. In this case, it is needed to select useful gradient updates for all tasks carefully. To this end, we propose a novel optimization approach for MTL, named GDOD, which manipulates gradients of each task using an orthogonal basis decomposed from the span of all task gradients. GDOD decomposes gradients into task-shared and task-conflict components explicitly and adopts a general update rule for avoiding interference across all task gradients. This allows guiding the update directions depending on the task-shared components. Moreover, we prove the convergence of GDOD theoretically under both convex and non-convex assumptions. Experiment results on several multi-task datasets not only demonstrate the significant improvement of GDOD performed to existing MTL models but also prove that our algorithm outperforms state-of-the-art optimization methods in terms of AUC and Logloss metrics.

Evaluating the performance of machine learning models under distribution shift is challenging, especially when we only have unlabeled data from the shifted (target) domain, along with labeled data from the original (source) domain. Recent work suggests that the notion of disagreement, the degree to which two models trained with different randomness differ on the same input, is a key to tackle this problem. Experimentally, disagreement and prediction error have been shown to be strongly connected, which has been used to estimate model performance. Experiments have lead to the discovery of the disagreement-on-the-line phenomenon, whereby the classification error under the target domain is often a linear function of the classification error under the source domain; and whenever this property holds, disagreement under the source and target domain follow the same linear relation. In this work, we develop a theoretical foundation for analyzing disagreement in high-dimensional random features regression; and study under what conditions the disagreement-on-the-line phenomenon occurs in our setting. Experiments on CIFAR-10-C, Tiny ImageNet-C, and Camelyon17 are consistent with our theory and support the universality of the theoretical findings.

We introduce a quantization-aware training algorithm that guarantees avoiding numerical overflow when reducing the precision of accumulators during inference. We leverage weight normalization as a means of constraining parameters during training using accumulator bit width bounds that we derive. We evaluate our algorithm across multiple quantized models that we train for different tasks, showing that our approach can reduce the precision of accumulators while maintaining model accuracy with respect to a floating-point baseline. We then show that this reduction translates to increased design efficiency for custom FPGA-based accelerators. Finally, we show that our algorithm not only constrains weights to fit into an accumulator of user-defined bit width, but also increases the sparsity and compressibility of the resulting weights. Across all of our benchmark models trained with 8-bit weights and activations, we observe that constraining the hidden layers of quantized neural networks to fit into 16-bit accumulators yields an average 98.2% sparsity with an estimated compression rate of 46.5x all while maintaining 99.2% of the floating-point performance.

Polar codes are widely used state-of-the-art codes for reliable communication that have recently been included in the 5th generation wireless standards (5G). However, there remains room for the design of polar decoders that are both efficient and reliable in the short blocklength regime. Motivated by recent successes of data-driven channel decoders, we introduce a novel $\textbf{C}$ur$\textbf{RI}$culum based $\textbf{S}$equential neural decoder for $\textbf{P}$olar codes (CRISP). We design a principled curriculum, guided by information-theoretic insights, to train CRISP and show that it outperforms the successive-cancellation (SC) decoder and attains near-optimal reliability performance on the Polar(32,16) and Polar(64,22) codes. The choice of the proposed curriculum is critical in achieving the accuracy gains of CRISP, as we show by comparing against other curricula. More notably, CRISP can be readily extended to Polarization-Adjusted-Convolutional (PAC) codes, where existing SC decoders are significantly less reliable. To the best of our knowledge, CRISP constructs the first data-driven decoder for PAC codes and attains near-optimal performance on the PAC(32,16) code.

We study a game between autobidding algorithms that compete in an online advertising platform. Each autobidder is tasked with maximizing its advertiser's total value over multiple rounds of a repeated auction, subject to budget and/or return-on-investment constraints. We propose a gradient-based learning algorithm that is guaranteed to satisfy all constraints and achieves vanishing individual regret. Our algorithm uses only bandit feedback and can be used with the first- or second-price auction, as well as with any "intermediate" auction format. Our main result is that when these autobidders play against each other, the resulting expected liquid welfare over all rounds is at least half of the expected optimal liquid welfare achieved by any allocation. This holds whether or not the bidding dynamics converges to an equilibrium and regardless of the correlation structure between advertiser valuations.

With the development of gene sequencing technology, an explosive growth of gene data has been witnessed. And the storage of gene data has become an important issue. Traditional gene data compression methods rely on general software like G-zip, which fails to utilize the interrelation of nucleotide sequence. Recently, many researchers begin to investigate deep learning based gene data compression method. In this paper, we propose a transformer-based gene compression method named GeneFormer. Specifically, we first introduce a modified transformer structure to fully explore the nucleotide sequence dependency. Then, we propose fixed-length parallel grouping to accelerate the decoding speed of our autoregressive model. Experimental results on real-world datasets show that our method saves 29.7% bit rate compared with the state-of-the-art method, and the decoding speed is significantly faster than all existing learning-based gene compression methods.

The proposed method in this paper is designed to address the problem of time series forecasting. Although some exquisitely designed models achieve excellent prediction performances, how to extract more useful information and make accurate predictions is still an open issue. Most of modern models only focus on a short range of information, which are fatal for problems such as time series forecasting which needs to capture long-term information characteristics. As a result, the main concern of this work is to further mine relationship between local and global information contained in time series to produce more precise predictions. In this paper, to satisfactorily realize the purpose, we make three main contributions that are experimentally verified to have performance advantages. Firstly, original time series is transformed into difference sequence which serves as input to the proposed model. And secondly, we introduce the global atrous sliding window into the forecasting model which references the concept of fuzzy time series to associate relevant global information with temporal data within a time period and utilizes central-bidirectional atrous algorithm to capture underlying-related features to ensure validity and consistency of captured data. Thirdly, a variation of widely-used asymmetric convolution which is called semi-asymmetric convolution is devised to more flexibly extract relationships in adjacent elements and corresponding associated global features with adjustable ranges of convolution on vertical and horizontal directions. The proposed model in this paper achieves state-of-the-art on most of time series datasets provided compared with competitive modern models.